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0 0 0 0 0 4.1792 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -5.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6583 -1.7000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6583 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9083 -0.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1583 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -5.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9208 -3.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -4.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1917 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3000 -3.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3000 -4.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4500 -4.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4500 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -5.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -2.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1583 -2.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -6.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0458 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 -6.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7917 -6.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0458 -7.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2958 -6.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5375 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -8.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 -7.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -7.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 -6.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 -7.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1958 -8.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9417 -9.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6875 -8.5958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6875 -7.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9417 -7.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -9.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -9.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -9.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 6 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 11 23 1 6 0 0 0 3 24 1 1 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 27 29 1 1 0 0 0 27 30 1 6 0 0 0 4 31 1 6 0 0 0 10 32 1 6 0 0 0 2 19 1 1 0 0 0 33 19 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 6 0 0 0 37 40 1 1 0 0 0 36 41 1 6 0 0 0 35 42 1 1 0 0 0 42 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 1 0 0 0 18 46 1 1 0 0 0 42 47 2 0 0 0 0 48 39 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 48 1 0 0 0 0 50 54 1 1 0 0 0 52 55 1 1 0 0 0 51 56 1 1 0 0 0 53 57 1 6 0 0 0 54 58 1 0 0 0 0 59 57 1 6 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 59 1 0 0 0 0 63 65 1 1 0 0 0 61 66 1 1 0 0 0 60 67 1 1 0 0 0 62 68 1 6 0 0 0 17 69 1 1 0 0 0 M END > CFN90456 > Soyasaponin Bb > 51330-27-9 > 98% > C48H78O18 > 943.12 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Soyasaponin-Bb-CFN90456.html $$$$ -ISIS- 10201511232D 70 77 0 0 0 0 0 0 0 0999 V2000 4.8708 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -6.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6208 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3708 -6.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3708 -5.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6208 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -6.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -5.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1125 -4.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6125 -4.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6125 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -4.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3500 -3.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1208 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 -4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8500 -3.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8500 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -2.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3500 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 -7.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3833 -6.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3833 -5.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -4.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8917 -5.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8917 -6.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6417 -6.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6417 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 -4.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -3.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9125 -7.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5917 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -4.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8958 -3.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8958 -7.9333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1458 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -7.9333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4000 -8.7958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1458 -9.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8958 -8.7958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3458 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 -10.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -9.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -9.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -7.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -9.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -10.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1333 -10.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8792 -10.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8792 -9.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1333 -9.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 -11.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -10.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -10.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 -9.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 6 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 11 23 1 6 0 0 0 3 24 1 1 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 27 29 1 1 0 0 0 27 30 1 6 0 0 0 4 31 1 6 0 0 0 10 32 1 6 0 0 0 2 19 1 1 0 0 0 33 19 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 6 0 0 0 37 40 1 1 0 0 0 36 41 1 6 0 0 0 35 42 1 1 0 0 0 42 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 1 0 0 0 18 46 1 1 0 0 0 42 47 2 0 0 0 0 48 39 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 48 1 0 0 0 0 50 54 1 1 0 0 0 52 55 1 1 0 0 0 51 56 1 1 0 0 0 53 57 1 6 0 0 0 54 58 1 0 0 0 0 59 57 1 6 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 59 1 0 0 0 0 63 65 1 6 0 0 0 61 66 1 6 0 0 0 60 67 1 1 0 0 0 62 68 1 1 0 0 0 17 69 1 1 0 0 0 65 70 1 0 0 0 0 M END > CFN90722 > Soyasaponin Ba > 114590-20-4 > 98% > C48H78O19 > 959.1 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Soyasaponin-Ba-CFN90722.html $$$$ -ISIS- 10201511232D 98107 0 0 0 0 0 0 0 0999 V2000 2.6792 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -4.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4292 -4.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1792 -4.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1792 -3.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4292 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9208 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 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7.4750 0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -5.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9208 -3.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -4.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1917 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3000 -3.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3000 -4.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4500 -4.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4500 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -5.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9083 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -2.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1583 -2.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -6.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0458 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 -6.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7917 -6.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0458 -7.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2958 -6.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5375 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -8.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 -7.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -7.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 -6.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 -7.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1958 -8.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9417 -9.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6875 -8.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6875 -7.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9417 -7.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -9.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -9.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -9.0292 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0 0 0 11.6375 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1292 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1292 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8708 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1292 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -8.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -9.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -8.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 6 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 11 23 1 6 0 0 0 3 24 1 1 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 27 29 1 1 0 0 0 27 30 1 6 0 0 0 4 31 1 6 0 0 0 10 32 1 6 0 0 0 2 19 1 1 0 0 0 33 19 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 6 0 0 0 37 40 1 1 0 0 0 36 41 1 6 0 0 0 35 42 1 1 0 0 0 42 43 1 0 0 0 0 24 44 1 0 0 0 0 17 45 1 1 0 0 0 25 46 1 1 0 0 0 18 47 1 1 0 0 0 26 48 1 1 0 0 0 42 49 2 0 0 0 0 50 39 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 50 1 0 0 0 0 52 56 1 1 0 0 0 54 57 1 1 0 0 0 53 58 1 1 0 0 0 55 59 1 6 0 0 0 56 60 1 0 0 0 0 61 59 1 6 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 61 1 0 0 0 0 65 67 1 6 0 0 0 63 68 1 6 0 0 0 62 69 1 1 0 0 0 64 70 1 1 0 0 0 67 71 1 0 0 0 0 72 46 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 72 1 0 0 0 0 77 78 1 6 0 0 0 76 79 1 1 0 0 0 75 80 1 1 0 0 0 81 79 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 81 1 0 0 0 0 85 87 1 1 0 0 0 86 88 1 6 0 0 0 84 89 1 6 0 0 0 88 90 1 0 0 0 0 90 91 1 0 0 0 0 90 92 2 0 0 0 0 87 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 89 96 1 0 0 0 0 96 97 1 0 0 0 0 96 98 2 0 0 0 0 M END > CFN90455 > Soyasaponin Aa > 117230-33-8 > 98% > C64H100O31 > 1365.46 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Soyasaponin-Aa-CFN90455.html $$$$ -ISIS- 10201511232D 60 65 0 0 0 0 0 0 0 0999 V2000 2.6792 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -4.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4292 -4.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1792 -4.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1792 -3.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4292 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9208 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -3.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9208 -2.9917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4208 -2.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4208 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9208 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1583 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9083 -2.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9083 -2.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1583 -1.7000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9292 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9958 -5.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -5.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6583 -1.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6583 -0.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9083 -0.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1583 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -5.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9208 -3.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -4.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1917 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3000 -3.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3000 -4.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4500 -4.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4500 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -5.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1583 -2.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 -3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1500 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8958 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1500 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8958 -1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6417 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3875 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2333 -2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2333 -3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9792 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 11 23 1 6 0 0 0 3 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 27 29 1 1 0 0 0 27 30 1 6 0 0 0 4 31 1 6 0 0 0 10 32 1 6 0 0 0 2 19 1 1 0 0 0 33 19 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 6 0 0 0 37 40 1 1 0 0 0 36 41 1 6 0 0 0 35 42 1 1 0 0 0 42 43 1 0 0 0 0 24 44 1 0 0 0 0 18 45 1 1 0 0 0 42 46 2 0 0 0 0 17 47 1 1 0 0 0 47 48 1 0 0 0 0 25 49 1 6 0 0 0 16 50 1 1 0 0 0 26 51 1 1 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 53 55 1 0 0 0 0 53 56 2 0 0 0 0 56 57 1 0 0 0 0 48 58 1 0 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 M END > CFN90538 > Gymnemic acid I > 122168-40-5 > 98% > C43H66O14 > 806.97 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Gymnemic-acid-I-CFN90538.html $$$$ -ISIS- 10201511232D 69 76 0 0 0 0 0 0 0 0999 V2000 5.6167 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3667 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3667 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8583 -5.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3583 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3583 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8458 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -2.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -7.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -6.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1292 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6375 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 -4.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 -5.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4167 -5.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3458 -5.7792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3458 -6.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4167 -7.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1458 -6.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -5.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 -4.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -7.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8792 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -1.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1333 -1.5250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3875 -1.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -2.8167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6250 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -1.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3417 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 2 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 6 0 0 0 36 43 1 1 0 0 0 16 44 1 1 0 0 0 43 45 1 0 0 0 0 46 42 1 6 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 46 1 0 0 0 0 49 52 1 1 0 0 0 48 53 1 6 0 0 0 47 54 1 1 0 0 0 50 55 1 6 0 0 0 56 45 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 56 1 0 0 0 0 58 62 1 1 0 0 0 60 63 1 1 0 0 0 61 64 1 6 0 0 0 59 65 1 6 0 0 0 62 66 1 0 0 0 0 23 67 1 0 0 0 0 25 68 1 0 0 0 0 55 69 1 0 0 0 0 M END > CFN90479 > Clinopodiside A > 142809-89-0 > 98% > C48H78O19 > 959.12 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Clinopodiside-A-CFN90479.html $$$$ -ISIS- 10201511232D 57 63 0 0 0 0 0 0 0 0999 V2000 5.6167 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3667 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3667 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8583 -5.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3583 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3583 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -5.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8458 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -2.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -7.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -6.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1292 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -5.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1500 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3500 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3500 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4000 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0917 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3417 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 2 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 1 0 0 0 36 43 1 1 0 0 0 44 41 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 48 50 1 1 0 0 0 47 51 1 6 0 0 0 49 52 1 6 0 0 0 16 53 1 6 0 0 0 25 54 1 0 0 0 0 46 55 1 1 0 0 0 55 56 1 0 0 0 0 23 57 1 0 0 0 0 M END > CFN99126 > Saikosaponin B2 > 58316-41-9 > 98% > C42H68O13 > 780.98 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Saikosaponin-B-CFN99126.html $$$$ -ISIS- 10201511232D 57 63 0 0 0 0 0 0 0 0999 V2000 5.6167 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3667 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3667 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8583 -5.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3583 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3583 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8458 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -2.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -7.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -6.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1292 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -5.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1500 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3500 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3500 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4000 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0917 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3417 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 2 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 1 0 0 0 36 43 1 1 0 0 0 44 41 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 48 50 1 1 0 0 0 47 51 1 6 0 0 0 49 52 1 6 0 0 0 16 53 1 1 0 0 0 25 54 1 0 0 0 0 46 55 1 1 0 0 0 55 56 1 0 0 0 0 23 57 1 0 0 0 0 M END > CFN99127 > Saikosaponin B1 > 58558-08-0 > 98% > C42H68O13 > 780.98 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Saikosaponin-B1-CFN99127.html $$$$ -ISIS- 10201511232D 68 75 0 0 0 0 0 0 0 0999 V2000 5.0667 -8.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -9.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8625 -9.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6542 -9.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6542 -8.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8625 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -9.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -8.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4417 -8.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0292 -8.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0292 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8125 -8.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -8.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6042 -7.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8125 -6.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2708 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4000 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4000 -5.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -5.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8125 -5.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -4.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0625 -4.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -10.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -8.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -9.3750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4917 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -8.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9083 -8.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9083 -9.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7042 -9.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7042 -10.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 -8.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -7.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3917 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 -6.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -8.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4417 -7.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2500 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2500 -9.3167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4417 -9.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3292 -9.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -9.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -7.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -7.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -10.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 -5.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2833 -5.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 -4.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4958 -3.8958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7042 -4.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7042 -5.2667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -3.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -5.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 -2.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -2.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8125 -7.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -7.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1875 -7.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 11 23 1 6 0 0 0 3 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 27 29 1 1 0 0 0 27 30 1 6 0 0 0 4 31 1 6 0 0 0 10 32 1 6 0 0 0 2 19 1 1 0 0 0 33 19 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 6 0 0 0 37 40 1 1 0 0 0 36 41 1 6 0 0 0 35 42 1 1 0 0 0 16 43 1 1 0 0 0 42 44 1 0 0 0 0 45 41 1 6 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 48 51 1 6 0 0 0 47 52 1 1 0 0 0 46 53 1 1 0 0 0 49 54 1 1 0 0 0 55 44 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 55 1 0 0 0 0 57 61 1 1 0 0 0 59 62 1 1 0 0 0 60 63 1 6 0 0 0 58 64 1 6 0 0 0 61 65 1 0 0 0 0 18 66 1 1 0 0 0 17 67 1 1 0 0 0 67 68 1 0 0 0 0 M END > CFN90635 > Saikosaponin F > 62687-63-2 > 98% > C48H80O17 > 929.14 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Saikosaponin-F-CFN90635.html $$$$ -ISIS- 10201511232D 58 65 0 0 0 0 0 0 0 0999 V2000 5.6167 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3667 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3667 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8583 -5.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3583 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3583 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6083 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8458 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -4.1083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8667 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -2.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -7.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -6.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1292 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -5.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1500 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3500 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3500 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4000 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0917 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -3.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 1 0 0 0 36 43 1 1 0 0 0 44 41 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 48 50 1 1 0 0 0 47 51 1 6 0 0 0 49 52 1 6 0 0 0 12 53 1 1 0 0 0 53 23 1 1 0 0 0 18 54 1 1 0 0 0 16 55 1 1 0 0 0 25 56 1 0 0 0 0 46 57 1 1 0 0 0 57 58 1 0 0 0 0 M END > CFN99987 > Saikosaponin A > 20736-09-8 > 98% > C42H68O13 > 780.99 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Saikosaponin-A-CFN99987.html $$$$ -ISIS- 10201511232D 58 65 0 0 0 0 0 0 0 0999 V2000 5.6167 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3667 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3667 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8583 -5.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3583 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3583 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6083 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -5.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8458 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -4.1083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8667 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -2.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -7.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -6.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1292 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -5.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1500 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3500 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3500 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4000 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0917 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -3.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 1 0 0 0 36 43 1 1 0 0 0 44 41 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 48 50 1 1 0 0 0 47 51 1 6 0 0 0 49 52 1 6 0 0 0 12 53 1 1 0 0 0 53 23 1 1 0 0 0 18 54 1 1 0 0 0 16 55 1 6 0 0 0 25 56 1 0 0 0 0 46 57 1 1 0 0 0 57 58 1 0 0 0 0 M END > CFN99989 > Saikosaponin D > 20874-52-6 > 98% > C42H68O13 > 780.99 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Saikosaponian-D-CFN99989.html $$$$ -ISIS- 10201511232D 69 77 0 0 0 0 0 0 0 0999 V2000 7.6583 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4083 -12.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1542 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1542 -11.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4083 -10.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -12.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -11.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8958 -10.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3958 -10.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3958 -10.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6458 -9.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1375 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8833 -10.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8833 -10.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1375 -9.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9083 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -10.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -10.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6333 -10.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -11.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6333 -9.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6333 -8.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8833 -8.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1375 -8.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4542 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3167 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -13.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -11.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -12.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1667 -11.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -10.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6750 -11.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6750 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4250 -12.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4250 -13.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -10.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -12.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1875 -11.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -10.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6917 -11.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6917 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4417 -12.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9500 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -10.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -13.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1417 -10.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3917 -9.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6292 -11.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 -13.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -14.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6792 -14.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -15.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4250 -16.0375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1708 -15.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1708 -14.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9167 -16.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -16.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -14.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -16.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -9.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -16.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 1 0 0 0 36 43 1 1 0 0 0 44 41 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 48 50 1 1 0 0 0 47 51 1 6 0 0 0 49 52 1 6 0 0 0 12 53 1 1 0 0 0 53 23 1 1 0 0 0 18 54 1 1 0 0 0 16 55 1 1 0 0 0 25 56 1 0 0 0 0 46 57 1 1 0 0 0 58 40 1 1 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 58 1 0 0 0 0 62 64 1 1 0 0 0 60 65 1 1 0 0 0 63 66 1 6 0 0 0 61 67 1 6 0 0 0 57 68 1 0 0 0 0 65 69 1 0 0 0 0 M END > CFN98519 > Buddlejasaponin IV > 139523-30-1 > 98% > C48H78O18 > 943.12 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Buddlejasaponin-CFN98519.html $$$$ -ISIS- 10201511232D 68 75 0 0 0 0 0 0 0 0999 V2000 5.6167 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3667 -7.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -6.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -5.7708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3667 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -5.7708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8583 -5.3375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3583 -5.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3583 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -5.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8458 -4.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -7.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -7.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -6.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -6.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1292 -5.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -5.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -5.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -6.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -7.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -5.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -6.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1500 -5.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -5.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3500 -5.7708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3500 -6.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4000 -7.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0917 -7.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -5.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -7.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -5.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -7.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -8.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6375 -9.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -10.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -10.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1292 -10.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1292 -9.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8792 -10.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -10.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -8.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -11.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -11.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3417 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 2 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 1 0 0 0 36 43 1 1 0 0 0 44 41 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 48 50 1 1 0 0 0 47 51 1 6 0 0 0 49 52 1 6 0 0 0 16 53 1 1 0 0 0 25 54 1 0 0 0 0 46 55 1 1 0 0 0 56 40 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 56 1 0 0 0 0 60 62 1 1 0 0 0 58 63 1 1 0 0 0 61 64 1 6 0 0 0 59 65 1 6 0 0 0 55 66 1 0 0 0 0 63 67 1 0 0 0 0 23 68 1 0 0 0 0 M END > CFN90709 > Buddlejasaponin IVb > 152580-79-5 > 98% > C48H78O18 > 943.12 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Buddlejasaponin-IVb-CFN90709.html $$$$ -ISIS- 10201511232D 68 76 0 0 0 0 0 0 0 0999 V2000 5.6167 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3667 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1167 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3667 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8583 -5.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3583 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3583 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6083 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8458 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -4.1083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8667 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9333 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -2.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0958 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -7.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -6.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1292 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -5.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 -5.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6375 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -7.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -3.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 -4.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 -5.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4167 -5.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3458 -5.7792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3458 -6.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4167 -7.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1458 -6.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -5.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 -4.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -7.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8792 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -1.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1333 -1.5250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3875 -1.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -2.8167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6250 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -1.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 6 0 0 0 36 43 1 1 0 0 0 12 44 1 1 0 0 0 44 23 1 1 0 0 0 18 45 1 1 0 0 0 16 46 1 1 0 0 0 43 47 1 0 0 0 0 48 42 1 6 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 48 1 0 0 0 0 51 54 1 6 0 0 0 50 55 1 1 0 0 0 49 56 1 1 0 0 0 52 57 1 1 0 0 0 58 47 1 1 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 58 1 0 0 0 0 60 64 1 1 0 0 0 62 65 1 1 0 0 0 63 66 1 6 0 0 0 61 67 1 6 0 0 0 64 68 1 0 0 0 0 M END > CFN99988 > Saikosaponin C > 20736-08-7 > 98% > C48H72O17 > 927.14 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Saikosaponin-C-CFN99988.html $$$$ -ISIS- 10201511232D 54 60 0 0 0 0 0 0 0 0999 V2000 6.3125 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5542 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -5.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5667 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -8.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -7.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8250 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -6.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -8.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8417 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5917 -10.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3333 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 4 30 1 6 0 0 0 10 31 1 6 0 0 0 32 23 1 0 0 0 0 23 33 2 0 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 1 0 0 0 43 40 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 48 49 1 6 0 0 0 47 50 1 6 0 0 0 45 51 1 6 0 0 0 46 52 1 1 0 0 0 18 53 1 1 0 0 0 28 54 2 0 0 0 0 M END > CFN92596 > Ciwujianoside E > 114912-36-6 > 98% > C40H62O11 > 718.9 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Ciwujianoside-E-CFN92596.html $$$$ -ISIS- 10201511232D 55 61 0 0 0 0 0 0 0 0999 V2000 6.3125 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5542 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -5.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5667 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -3.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -8.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -7.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8250 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -6.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -8.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8417 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5917 -10.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3333 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 1 0 0 0 45 42 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 50 51 1 6 0 0 0 49 52 1 6 0 0 0 47 53 1 6 0 0 0 48 54 1 1 0 0 0 18 55 1 1 0 0 0 M END > CFN98558 > Beta-Hederin > 35790-95-5 > 98% > C41H66O11 > 734.96 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Hederin-CFN98558.html $$$$ -ISIS- 10201511232D 56 62 0 0 0 0 0 0 0 0999 V2000 6.3125 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5542 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -5.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5667 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -3.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -8.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -7.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8250 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -6.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -8.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -9.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8417 -10.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -10.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -9.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 1 0 0 0 45 42 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 50 51 1 6 0 0 0 49 52 1 1 0 0 0 47 53 1 1 0 0 0 48 54 1 6 0 0 0 18 55 1 1 0 0 0 53 56 1 0 0 0 0 M END > CFN90396 > Oleanolic acid-3-O-beta-D-glucopyranosyl (1¡ú2)-alpha-L-arabinopyranoside > 60213-69-6 > 98% > C41H66O12 > 750.96 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Oleanolic-acid-3-O-beta-D-glucopyranosyl-CFN90396.html $$$$ -ISIS- 10201511232D 57 63 0 0 0 0 0 0 0 0999 V2000 7.6583 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4083 -12.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1542 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1542 -11.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4083 -10.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -12.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -11.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8958 -10.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3958 -10.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3958 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -9.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1375 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8833 -10.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8833 -10.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1375 -9.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9083 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -10.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -10.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6333 -10.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -11.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6333 -9.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6333 -8.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8833 -8.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1375 -8.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4542 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3167 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -13.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -11.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3833 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6333 -11.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -12.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1667 -11.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -10.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6750 -11.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4250 -12.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4250 -13.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -10.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1375 -10.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 -9.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -9.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -12.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1875 -11.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -10.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -11.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6917 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4417 -12.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9500 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -10.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -13.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 6 0 0 0 18 45 1 1 0 0 0 38 46 1 1 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 49 43 1 1 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 49 1 0 0 0 0 53 55 1 1 0 0 0 52 56 1 6 0 0 0 54 57 1 6 0 0 0 M END > CFN99726 > Momordin Ic > 96990-18-0 > 98% > C41H64O13 > 764.93 > Brown powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Momordin-Ic-CFN99726.html $$$$ -ISIS- 10201511232D 59 65 0 0 0 0 0 0 0 0999 V2000 6.3125 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5542 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -5.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5667 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -3.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -8.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -7.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8250 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3333 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -8.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -9.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8417 -10.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -10.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -9.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0833 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -4.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -4.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 6 0 0 0 45 42 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 50 51 1 6 0 0 0 49 52 1 1 0 0 0 47 53 1 1 0 0 0 48 54 1 6 0 0 0 18 55 1 1 0 0 0 53 56 1 0 0 0 0 38 57 1 1 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 M END > CFN92517 > Zingibroside R1 > 80930-74-1 > 98% > C42H66O14 > 795.0 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Zingibroside-R1-CFN92517.html $$$$ -ISIS- 10201511232D 64 71 0 0 0 0 0 0 0 0999 V2000 6.3125 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5542 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -5.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5667 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -3.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -8.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -7.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8250 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -6.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -8.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8417 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5917 -10.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3333 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -11.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0958 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -11.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -12.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0958 -13.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8417 -12.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -13.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -13.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -13.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 1 0 0 0 45 42 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 50 51 1 6 0 0 0 49 52 1 6 0 0 0 47 53 1 6 0 0 0 48 54 1 1 0 0 0 18 55 1 1 0 0 0 56 52 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 56 1 0 0 0 0 61 62 1 6 0 0 0 60 63 1 6 0 0 0 59 64 1 6 0 0 0 M END > CFN90391 > Prosapogenin CP4 > 75799-18-7 > 98% > C46H74O15 > 866.50 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Presapogenin-CP4-CFN90391.html $$$$ -ISIS- 10201511232D 66 73 0 0 0 0 0 0 0 0999 V2000 6.3125 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5542 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -5.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5667 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -3.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -8.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -7.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8250 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -6.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -8.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -9.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8417 -10.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -10.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -9.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -11.3417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3333 -11.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -12.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0792 -13.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8292 -12.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8292 -11.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -13.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -11.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -13.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -13.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 1 0 0 0 45 42 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 50 51 1 6 0 0 0 49 52 1 1 0 0 0 47 53 1 1 0 0 0 48 54 1 6 0 0 0 18 55 1 1 0 0 0 53 56 1 0 0 0 0 57 51 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 57 1 0 0 0 0 59 63 1 6 0 0 0 62 64 1 6 0 0 0 61 65 1 6 0 0 0 60 66 1 1 0 0 0 M END > CFN99985 > Raddeanin A > 89412-79-3 > 98% > C47H76O16 > 897.11 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Raddeanin-A-CFN99985.html $$$$ -ISIS- 10201511232D 56 62 0 0 0 0 0 0 0 0999 V2000 6.3125 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5542 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -5.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5667 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -3.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -8.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -7.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8250 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -6.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -8.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8417 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5917 -10.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3333 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 25 32 1 0 0 0 0 4 33 1 6 0 0 0 10 34 1 6 0 0 0 35 23 1 0 0 0 0 23 36 2 0 0 0 0 2 19 1 1 0 0 0 37 19 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 42 43 1 6 0 0 0 41 44 1 1 0 0 0 40 45 1 1 0 0 0 46 43 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 46 1 0 0 0 0 51 52 1 6 0 0 0 50 53 1 6 0 0 0 48 54 1 6 0 0 0 49 55 1 1 0 0 0 18 56 1 1 0 0 0 M END > CFN98325 > alpha-Hederin > 27013-91-8 > 98% > C41H66O12 > 751.0 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/alpha-Hederin-CFN98325.html $$$$ -ISIS- 10201511232D 57 63 0 0 0 0 0 0 0 0999 V2000 6.3125 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5542 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5417 -5.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5667 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -3.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -8.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -7.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8250 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -6.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -8.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8417 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5917 -10.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3333 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -7.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 1 0 0 0 45 42 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 50 51 1 6 0 0 0 49 52 1 6 0 0 0 47 53 1 6 0 0 0 48 54 1 1 0 0 0 18 55 1 1 0 0 0 25 56 1 0 0 0 0 16 57 1 6 0 0 0 M END > CFN00446 > Glycoside L-F2 > 243857-99-0 > 98% > C41H66O13 > 766.96 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Glycoside-L-F2-CFN00446.html $$$$ -ISIS- 10201511232D 65 72 0 0 0 0 0 0 0 0999 V2000 6.3125 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5542 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -5.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5667 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -3.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -8.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -7.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8250 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -6.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -8.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8417 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5917 -10.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3333 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -11.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0958 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -11.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -12.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0958 -13.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8417 -12.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -13.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -13.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -13.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 1 0 0 0 45 42 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 50 51 1 6 0 0 0 49 52 1 6 0 0 0 47 53 1 6 0 0 0 48 54 1 1 0 0 0 18 55 1 1 0 0 0 56 52 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 56 1 0 0 0 0 61 62 1 6 0 0 0 60 63 1 6 0 0 0 59 64 1 6 0 0 0 25 65 1 0 0 0 0 M END > CFN90392 > Prosapogenin CP6 > 72629-76-6 > 98% > C46H74O16 > 882.50 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Prosapogenin-CP6-CFN90392.html $$$$ -ISIS- 10201511232D 67 74 0 0 0 0 0 0 0 0999 V2000 6.3125 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5542 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -5.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5667 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -3.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -8.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -7.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8250 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -6.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5917 -8.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -9.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8417 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5917 -10.4792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3333 -10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -11.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0958 -11.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -11.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3500 -12.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0958 -13.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8417 -12.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -13.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -13.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -13.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -11.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -11.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 1 0 0 0 45 42 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 50 51 1 6 0 0 0 49 52 1 6 0 0 0 47 53 1 6 0 0 0 48 54 1 1 0 0 0 18 55 1 1 0 0 0 56 52 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 56 1 0 0 0 0 61 62 1 6 0 0 0 60 63 1 1 0 0 0 59 64 1 6 0 0 0 25 65 1 0 0 0 0 58 66 1 1 0 0 0 66 67 1 0 0 0 0 M END > CFN90430 > Kalopanaxsaponin H > 128730-82-5 > 98% > C47H76O17 > 913.09 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Kalopanaxsaponin-H-CFN90430.html $$$$ -ISIS- 10201511232D 51 56 0 0 0 0 0 0 0 0999 V2000 6.3125 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0625 -7.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8125 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5542 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -5.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5667 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -3.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7917 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -8.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -7.4708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8250 -6.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3333 -6.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3333 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -7.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0833 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -4.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7958 -7.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -9.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 6 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 1 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 6 0 0 0 18 45 1 1 0 0 0 38 46 1 1 0 0 0 46 47 1 0 0 0 0 1 48 1 1 0 0 0 24 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 2 0 0 0 0 M END > CFN98157 > Tenuifolin > 20183-47-5 > 98% > C36H56O12 > 680.37 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Tenuifolin-CFN98157.html $$$$ -ISIS- 10201511232D 67 74 0 0 0 0 0 0 0 0999 V2000 2.2917 -11.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -12.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9500 -13.0458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6083 -12.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6083 -11.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9500 -11.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -13.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -12.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -11.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2583 -11.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5708 -11.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5708 -10.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -10.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -10.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 -11.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -11.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -10.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2208 -10.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6333 -13.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5708 -13.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6083 -11.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -11.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -11.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -12.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -13.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -10.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -9.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -9.2667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2208 -9.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -12.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6083 -13.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -10.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -11.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -12.6667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9792 -11.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 -11.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -11.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3375 -12.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3208 -13.0458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9917 -11.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 -13.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 -13.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 -11.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -8.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2583 -8.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 -14.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3375 -14.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -15.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3208 -16.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9792 -15.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9792 -14.9417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9917 -16.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 -14.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 -16.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 -16.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 -10.7708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3333 -10.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -9.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9917 -9.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6500 -9.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6500 -10.3917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3042 -9.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 -9.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 -8.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 -10.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -12.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 1 0 0 0 0 23 33 2 0 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 37 40 1 1 0 0 0 38 41 1 1 0 0 0 39 42 1 6 0 0 0 18 43 1 1 0 0 0 28 44 1 1 0 0 0 28 45 1 6 0 0 0 46 42 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 46 1 0 0 0 0 48 52 1 6 0 0 0 51 53 1 6 0 0 0 50 54 1 6 0 0 0 49 55 1 1 0 0 0 56 40 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 56 1 0 0 0 0 60 62 1 1 0 0 0 58 63 1 1 0 0 0 59 64 1 6 0 0 0 61 65 1 6 0 0 0 63 66 1 0 0 0 0 24 67 1 0 0 0 0 M END > CFN90659 > Raddeanoside 20 > 335354-79-5 > 98% > C47H76O17 > 913.1 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Raddeanoside-20-CFN90659.html $$$$ -ISIS- 10201511232D 48 53 0 0 0 0 0 0 0 0999 V2000 1.7667 -8.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -9.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5750 -9.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3792 -9.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3792 -8.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5750 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -9.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -9.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -8.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1750 -8.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7833 -8.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7833 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -8.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3833 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3833 -7.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5750 -6.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9625 -9.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1083 -10.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7833 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -10.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3833 -5.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5750 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -10.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9833 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -8.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7917 -7.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8167 -8.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6333 -9.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4208 -8.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4208 -7.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6333 -7.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2208 -7.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6375 -9.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -9.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2208 -9.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0250 -7.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -7.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8458 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -10.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 1 0 0 0 0 23 33 2 0 0 0 0 2 19 1 1 0 0 0 34 32 1 6 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 38 40 1 6 0 0 0 36 41 1 6 0 0 0 35 42 1 1 0 0 0 37 43 1 1 0 0 0 40 44 1 0 0 0 0 18 45 1 1 0 0 0 28 46 1 1 0 0 0 28 47 1 6 0 0 0 25 48 1 0 0 0 0 M END > CFN90651 > Hederagenin 28-O-beta-D-glucopyranosyl ester > 53931-25-2 > 98% > C36H58O9 > 634.9 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Hederagenin-28-O-beta-D-glucopyranosyl-ester-CFN90651.html $$$$ -ISIS- 10201511232D 59 65 0 0 0 0 0 0 0 0999 V2000 2.2708 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0208 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7667 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7667 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0208 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -13.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -12.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5125 -11.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0125 -11.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0125 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -10.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7500 -10.3292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5208 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -12.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -9.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7500 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -13.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -12.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -12.9167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7833 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -11.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7125 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7125 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0375 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0375 -14.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -11.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -11.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -10.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -10.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -10.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7458 -11.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7458 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4917 -12.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2375 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2375 -11.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4917 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9833 -10.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9833 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7292 -11.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 6 0 0 0 18 45 1 1 0 0 0 38 46 1 1 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 49 34 1 6 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 49 1 0 0 0 0 53 55 1 6 0 0 0 51 56 1 6 0 0 0 50 57 1 1 0 0 0 52 58 1 1 0 0 0 55 59 1 0 0 0 0 M END > CFN92516 > Chikusetsusaponin IVa > 51415-02-2 > 98% > C42H66O14 > 795.0 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Chikusetsusaponin-IVa-CFN92516.html $$$$ -ISIS- 10201511232D 68 75 0 0 0 0 0 0 0 0999 V2000 3.1167 -13.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -14.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8667 -15.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6125 -14.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6125 -13.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8667 -13.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -15.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -14.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -13.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3542 -13.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8542 -13.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8542 -12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -12.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -13.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -13.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -12.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5958 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3667 -15.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -15.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -13.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -13.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -13.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -14.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 -15.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -12.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -10.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5958 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -15.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -14.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -13.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -14.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6250 -13.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -13.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1333 -13.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1333 -14.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8833 -15.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8833 -16.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -15.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -13.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -13.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -12.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -12.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -12.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5875 -13.0208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5875 -13.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3375 -14.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0833 -13.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0833 -13.0208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3375 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -15.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8292 -12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -14.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8292 -14.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 -13.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 -13.0208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4458 -12.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 -11.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7208 -12.7292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1417 -13.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6375 -11.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -14.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -12.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 6 0 0 0 18 45 1 1 0 0 0 38 46 1 1 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 49 34 1 6 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 49 1 0 0 0 0 51 55 1 6 0 0 0 53 56 1 6 0 0 0 50 57 1 1 0 0 0 52 58 1 1 0 0 0 56 59 1 0 0 0 0 60 44 1 1 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 60 1 0 0 0 0 62 65 1 6 0 0 0 64 66 1 6 0 0 0 63 67 1 1 0 0 0 65 68 1 0 0 0 0 M END > CFN90542 > Chikusetsusaponin IV > 7518-22-1 > 98% > C47H74O18 > 927.08 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Chikusetsusaponin-IV-CFN90542.html $$$$ -ISIS- 10201511232D 68 75 0 0 0 0 0 0 0 0999 V2000 3.1167 -13.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -14.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8667 -15.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6125 -14.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6125 -13.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8667 -13.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -15.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -14.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -13.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3542 -13.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8542 -13.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8542 -12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -12.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -13.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -13.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -12.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5958 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3667 -15.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -15.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -13.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -13.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -13.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -14.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 -15.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -12.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -10.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5958 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -15.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -14.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -13.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -14.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6250 -13.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -13.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1333 -13.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1333 -14.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8833 -15.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8833 -16.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -15.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -13.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -13.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -12.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -12.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -12.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 -14.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3542 -13.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -13.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -13.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8500 -14.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1000 -15.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5917 -15.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5917 -13.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -16.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5875 -13.0208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5875 -13.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3375 -14.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0833 -13.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0833 -13.0208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3375 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -15.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8292 -12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -14.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8292 -14.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 -13.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 6 0 0 0 18 45 1 1 0 0 0 38 46 1 1 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 49 43 1 1 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 49 1 0 0 0 0 53 55 1 1 0 0 0 52 56 1 1 0 0 0 54 57 1 6 0 0 0 58 34 1 6 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 58 1 0 0 0 0 60 64 1 6 0 0 0 62 65 1 6 0 0 0 59 66 1 1 0 0 0 61 67 1 1 0 0 0 65 68 1 0 0 0 0 M END > CFN92562 > Momordin II > 95851-41-5 > 98% > C47H74O18 > 927.1 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Momordin-II-CFN92562.html $$$$ -ISIS- 10201511232D 69 76 0 0 0 0 0 0 0 0999 V2000 3.1167 -13.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -14.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8667 -15.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6125 -14.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6125 -13.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8667 -13.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -15.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -14.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -13.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3542 -13.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8542 -13.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8542 -12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -12.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -13.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -13.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -12.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5958 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3667 -15.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -15.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -13.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -13.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -13.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -14.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 -15.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -12.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -10.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5958 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -10.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -15.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -14.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -13.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -14.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6250 -13.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -13.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1333 -13.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1333 -14.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8833 -15.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8833 -16.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -15.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -13.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -13.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -12.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -12.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -12.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 -14.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3542 -13.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -13.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -13.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8500 -14.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1000 -15.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5917 -15.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5917 -13.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -16.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5875 -13.0208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5875 -13.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3375 -14.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0833 -13.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0833 -13.0208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3375 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -15.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8292 -12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -14.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8292 -14.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 -13.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 6 0 0 0 18 45 1 1 0 0 0 38 46 1 1 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 49 43 1 1 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 49 1 0 0 0 0 53 55 1 1 0 0 0 52 56 1 1 0 0 0 54 57 1 6 0 0 0 58 34 1 6 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 58 1 0 0 0 0 60 64 1 6 0 0 0 62 65 1 6 0 0 0 59 66 1 1 0 0 0 61 67 1 1 0 0 0 65 68 1 0 0 0 0 47 69 1 0 0 0 0 M END > CFN92563 > Momordin Iia > 95851-50-6 > 98% > C48H76O18 > 941.1 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Momordin-Iia-CFN92563.html $$$$ -ISIS- 10201511232D 68 75 0 0 0 0 0 0 0 0999 V2000 2.2708 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0208 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7667 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7667 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0208 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -13.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -12.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5125 -11.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0125 -11.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0125 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -10.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7500 -10.3292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5208 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -12.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -9.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7500 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -13.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -12.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -12.9167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7833 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -11.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7125 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7125 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0375 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0375 -14.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -11.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -11.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -10.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -10.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -10.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7458 -11.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7458 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4917 -12.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2375 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2375 -11.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4917 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9833 -10.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9833 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7292 -11.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -14.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4542 -14.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -14.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -15.5042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4542 -15.9333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7083 -15.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4542 -16.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -15.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -15.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 6 0 0 0 18 45 1 1 0 0 0 38 46 1 1 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 49 34 1 6 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 49 1 0 0 0 0 53 55 1 6 0 0 0 51 56 1 6 0 0 0 50 57 1 1 0 0 0 52 58 1 1 0 0 0 55 59 1 0 0 0 0 60 42 1 1 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 60 1 0 0 0 0 64 66 1 1 0 0 0 65 67 1 6 0 0 0 63 68 1 6 0 0 0 M END > CFN90656 > Pseudoginsenoside RT1 > 98474-74-9 > 98% > C47H74O18 > 927.1 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Pseudoginsenoside-RT1-CFN90656.html $$$$ -ISIS- 10201511232D 70 77 0 0 0 0 0 0 0 0999 V2000 2.2708 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0208 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7667 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7667 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0208 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -13.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -12.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5125 -11.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0125 -11.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0125 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -10.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7500 -10.3292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5208 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -12.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -9.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7500 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -13.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -12.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -12.9167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7833 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -11.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7125 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7125 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0375 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0375 -14.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -11.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -11.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -10.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -10.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -10.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7458 -11.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7458 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4917 -12.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2375 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2375 -11.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4917 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9833 -10.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9833 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7292 -11.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -14.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4542 -14.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -14.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2000 -15.5042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4542 -15.9333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7083 -15.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4542 -16.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -15.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -15.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -14.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6917 -14.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 6 0 0 0 18 45 1 1 0 0 0 38 46 1 1 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 49 34 1 6 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 49 1 0 0 0 0 53 55 1 6 0 0 0 51 56 1 6 0 0 0 50 57 1 1 0 0 0 52 58 1 1 0 0 0 55 59 1 0 0 0 0 60 42 1 1 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 60 1 0 0 0 0 64 66 1 1 0 0 0 65 67 1 6 0 0 0 63 68 1 6 0 0 0 62 69 1 1 0 0 0 69 70 1 0 0 0 0 M END > CFN99147 > Ginsenoside Ro > 34367-04-9 > 98% > C48H76O19 > 957.11 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Ginsenoside-Ro-CFN99147.html $$$$ -ISIS- 10201511232D 71 78 0 0 0 0 0 0 0 0999 V2000 2.2708 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0208 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7667 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7667 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0208 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -13.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -12.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5125 -11.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0125 -11.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0125 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -10.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7500 -10.3292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5208 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -12.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -9.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7500 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -13.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -12.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -12.9167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7833 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -11.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7125 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7125 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0375 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0375 -14.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -11.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -11.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -10.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -10.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -10.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7458 -11.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7458 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4917 -12.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2375 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2375 -11.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4917 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9833 -10.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9833 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7292 -11.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -14.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4542 -14.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -14.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2000 -15.5042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4542 -15.9333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7083 -15.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4542 -16.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -15.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -15.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -14.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6917 -14.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 6 0 0 0 18 45 1 1 0 0 0 38 46 1 1 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 49 34 1 6 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 49 1 0 0 0 0 53 55 1 6 0 0 0 51 56 1 6 0 0 0 50 57 1 1 0 0 0 52 58 1 1 0 0 0 55 59 1 0 0 0 0 60 42 1 1 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 60 1 0 0 0 0 64 66 1 1 0 0 0 65 67 1 6 0 0 0 63 68 1 6 0 0 0 62 69 1 1 0 0 0 69 70 1 0 0 0 0 47 71 1 0 0 0 0 M END > CFN92561 > Chikusetsusaponin V methyl ester > 34291-22-0 > 98% > C49H78O19 > 971.2 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Chikusetsusaponin-5-methyl-ester-CFN92561.html $$$$ -ISIS- 10201511232D 76 84 0 0 0 0 0 0 0 0999 V2000 4.2083 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9583 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7042 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7042 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9583 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -13.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -12.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4500 -11.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9500 -11.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9500 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4333 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4333 -10.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -10.3292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4583 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -12.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4333 -9.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -13.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -12.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9333 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 -12.9167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7208 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2250 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9750 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9750 -14.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -11.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -11.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6833 -11.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6833 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4292 -12.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1750 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1750 -11.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4292 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9208 -10.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9375 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9208 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 -11.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -15.0708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2292 -15.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -16.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -16.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7250 -16.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7250 -15.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4708 -16.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -17.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4708 -15.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -13.7792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0083 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 -13.7792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7542 -14.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0083 -15.0708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2625 -14.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4833 -15.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -15.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -13.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -15.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 -13.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 1 0 0 0 18 45 1 1 0 0 0 46 34 1 6 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 46 1 0 0 0 0 50 52 1 6 0 0 0 48 53 1 6 0 0 0 47 54 1 1 0 0 0 49 55 1 1 0 0 0 52 56 1 0 0 0 0 57 42 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 57 1 0 0 0 0 61 63 1 1 0 0 0 60 64 1 6 0 0 0 62 65 1 6 0 0 0 66 43 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 66 1 0 0 0 0 71 72 1 6 0 0 0 70 73 1 1 0 0 0 68 74 1 1 0 0 0 69 75 1 6 0 0 0 74 76 1 0 0 0 0 M END > CFN90543 > Tarasaponin VII > 144118-18-3 > 98% > C52H84O21 > 1045.22 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Tarasaponin-VII-CFN90543.html $$$$ -ISIS- 10201511232D 80 88 0 0 0 0 0 0 0 0999 V2000 3.6167 -12.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -12.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3667 -13.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1125 -12.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1125 -12.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3667 -11.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -13.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -12.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -12.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8542 -11.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3542 -11.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3542 -10.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -10.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -10.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 -12.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -11.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -10.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0958 -10.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8667 -13.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -14.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -11.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -11.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5917 -11.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -12.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -14.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5917 -10.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5917 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -9.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0958 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -8.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -8.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -13.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -12.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -10.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5917 -12.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -12.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1250 -12.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -11.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6333 -12.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6333 -12.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3833 -13.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3833 -14.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -13.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -11.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 -11.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -10.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -10.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0875 -11.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0875 -12.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8375 -12.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5833 -12.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5833 -11.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8375 -10.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3292 -10.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 -13.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -12.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3292 -12.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0750 -11.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -15.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6375 -15.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -16.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3833 -16.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1292 -16.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1292 -15.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1083 -16.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -16.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -17.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -15.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -17.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 -13.8083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6042 -13.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -13.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3500 -14.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6042 -15.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8542 -14.6708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1083 -15.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6042 -15.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 -13.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 -15.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8417 -13.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 6 0 0 0 18 45 1 1 0 0 0 38 46 1 1 0 0 0 46 47 1 0 0 0 0 48 34 1 6 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 48 1 0 0 0 0 52 54 1 6 0 0 0 50 55 1 6 0 0 0 49 56 1 1 0 0 0 51 57 1 1 0 0 0 54 58 1 0 0 0 0 59 42 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 59 1 0 0 0 0 61 65 1 1 0 0 0 63 66 1 1 0 0 0 62 67 1 6 0 0 0 64 68 1 6 0 0 0 65 69 1 0 0 0 0 70 43 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 70 1 0 0 0 0 75 76 1 6 0 0 0 74 77 1 1 0 0 0 72 78 1 1 0 0 0 73 79 1 6 0 0 0 78 80 1 0 0 0 0 M END > CFN90322 > Araloside V > 340963-86-2 > 98% > C54H88O23 > 1105.3 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Araloside-CFN90322.html $$$$ -ISIS- 10201511232D 91100 0 0 0 0 0 0 0 0999 V2000 4.2083 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9583 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7042 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7042 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9583 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -13.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -12.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4500 -11.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9500 -11.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9500 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4333 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4333 -10.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -10.3292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4583 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -12.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4333 -9.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -13.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -12.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9333 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 -12.9167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7208 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -11.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2250 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2250 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9750 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9750 -14.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -11.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -11.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -10.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2333 -10.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6833 -11.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6833 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4292 -12.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1750 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1750 -11.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4292 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9208 -10.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9375 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9208 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 -11.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -15.0708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2292 -15.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -16.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9750 -16.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7250 -16.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7250 -15.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4833 -16.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4708 -16.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -17.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4708 -15.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -17.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -13.7792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0083 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 -13.7792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7542 -14.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0083 -15.0708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2625 -14.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4833 -15.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -15.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -13.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -15.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 -13.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 -16.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5000 -15.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 -16.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2458 -17.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5000 -17.6583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7542 -17.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5000 -18.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 -15.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 -17.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -17.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7375 -16.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 6 0 0 0 18 45 1 1 0 0 0 38 46 1 1 0 0 0 46 47 1 0 0 0 0 48 34 1 6 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 48 1 0 0 0 0 52 54 1 6 0 0 0 50 55 1 6 0 0 0 49 56 1 1 0 0 0 51 57 1 1 0 0 0 54 58 1 0 0 0 0 59 42 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 59 1 0 0 0 0 61 65 1 1 0 0 0 63 66 1 1 0 0 0 62 67 1 6 0 0 0 64 68 1 6 0 0 0 65 69 1 0 0 0 0 70 43 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 70 1 0 0 0 0 75 76 1 6 0 0 0 74 77 1 1 0 0 0 72 78 1 1 0 0 0 73 79 1 6 0 0 0 78 80 1 0 0 0 0 81 77 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 81 1 0 0 0 0 85 87 1 1 0 0 0 83 88 1 1 0 0 0 84 89 1 6 0 0 0 86 90 1 6 0 0 0 88 91 1 0 0 0 0 M END > CFN90323 > Araloside X > 344911-90-6 > 98% > C60H98O28 > 1267.42 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Araloside-CFN90323.html $$$$ -ISIS- 10201511232D 87 96 0 0 0 0 0 0 0 0999 V2000 4.2083 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9583 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7042 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7042 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9583 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -13.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -12.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4500 -11.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9500 -11.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9500 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -10.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4333 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4333 -10.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -10.3292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4583 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -12.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4333 -9.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -9.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -13.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -12.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9333 -10.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 -12.9167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7208 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -11.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -12.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2250 -12.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9750 -13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9750 -14.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -13.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -11.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -11.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6833 -11.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6833 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -12.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1750 -12.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1750 -11.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4292 -10.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9208 -10.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -13.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9208 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -15.0708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2292 -15.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2292 -16.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9750 -16.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7250 -16.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7250 -15.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4708 -16.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -17.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -15.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -16.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1750 -13.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1750 -14.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4292 -15.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -15.9333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1750 -16.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9208 -15.9333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9208 -15.0708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6667 -16.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6833 -16.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6833 -17.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1750 -17.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 -14.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1750 -18.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4292 -18.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -19.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1750 -19.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9208 -19.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9208 -18.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1750 -20.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6833 -19.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 -19.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 -18.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 34 23 1 0 0 0 0 23 35 2 0 0 0 0 2 19 1 1 0 0 0 36 19 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 1 0 0 0 39 44 1 1 0 0 0 18 45 1 1 0 0 0 46 34 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 46 1 0 0 0 0 50 52 1 1 0 0 0 48 53 1 1 0 0 0 49 54 1 6 0 0 0 55 42 1 6 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 55 1 0 0 0 0 59 61 1 1 0 0 0 58 62 1 6 0 0 0 56 63 1 1 0 0 0 57 64 1 1 0 0 0 51 65 1 6 0 0 0 53 66 1 0 0 0 0 67 66 1 1 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 67 1 0 0 0 0 71 73 1 1 0 0 0 69 74 1 1 0 0 0 74 75 1 0 0 0 0 70 76 1 6 0 0 0 72 77 1 6 0 0 0 78 76 1 1 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 78 1 0 0 0 0 81 84 1 1 0 0 0 80 85 1 6 0 0 0 82 86 1 6 0 0 0 83 87 1 6 0 0 0 M END > CFN99986 > Hederasaponin B > 36284-77-2 > 98% > C59H96O25 > 1205.4 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Hederasaponin-B-CFN99986.html $$$$ -ISIS- 10201511232D 68 75 0 0 0 0 0 0 0 0999 V2000 0.6500 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -8.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3083 -8.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9667 -8.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9667 -7.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3083 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -8.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 -7.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6167 -7.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9292 -7.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9292 -6.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -6.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -6.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5792 -5.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0083 -8.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -4.8167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5792 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -7.8417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -8.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -6.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -7.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -8.2167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6625 -7.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9792 -7.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9792 -8.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3208 -8.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2042 -6.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2250 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8917 -7.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5375 -7.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5375 -6.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8917 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 -8.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -7.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -8.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -9.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -7.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 -6.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5042 -6.3292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1625 -6.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8208 -6.3292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8208 -5.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1625 -5.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5042 -5.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4750 -6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1625 -4.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4750 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1333 -6.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -6.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -9.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 1 0 0 0 0 23 33 2 0 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 40 32 1 6 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 44 46 1 6 0 0 0 42 47 1 6 0 0 0 37 48 1 1 0 0 0 38 49 1 1 0 0 0 39 50 1 6 0 0 0 41 51 1 1 0 0 0 43 52 1 1 0 0 0 46 53 1 0 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 54 1 0 0 0 0 56 60 1 1 0 0 0 58 61 1 1 0 0 0 59 62 1 6 0 0 0 57 63 1 6 0 0 0 60 64 1 0 0 0 0 18 65 1 1 0 0 0 28 66 1 1 0 0 0 28 67 1 6 0 0 0 25 68 1 0 0 0 0 M END > CFN99766 > Asperosaponin VI > 39524-08-8 > 98% > C47H76O18 > 929.10 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Asperosaponin-CFN99766.html $$$$ -ISIS- 10201511232D 78 86 0 0 0 0 0 0 0 0999 V2000 -0.3375 -8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -8.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3208 -9.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9792 -8.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9792 -8.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3208 -7.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -9.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -8.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6292 -7.7708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9417 -7.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9417 -7.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -7.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -7.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -7.0208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5917 -6.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9958 -9.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -9.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -9.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -5.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5917 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -8.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -9.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -7.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -8.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -8.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6500 -8.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -7.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 -8.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9667 -8.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3083 -9.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2167 -7.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2375 -8.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9042 -8.5208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5500 -8.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5500 -7.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9042 -7.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -9.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -7.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -9.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -10.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -8.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -8.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -7.0167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1750 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8333 -7.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8333 -6.2583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1750 -5.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5167 -6.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4875 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 -5.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 -5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4875 -5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1458 -5.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8000 -5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4583 -5.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4583 -4.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8000 -4.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1458 -4.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1458 -7.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4875 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8000 -3.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1125 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1167 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -7.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 -9.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 1 0 0 0 0 23 33 2 0 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 40 32 1 6 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 44 46 1 6 0 0 0 42 47 1 6 0 0 0 37 48 1 1 0 0 0 38 49 1 1 0 0 0 39 50 1 6 0 0 0 41 51 1 1 0 0 0 43 52 1 1 0 0 0 46 53 1 0 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 54 1 0 0 0 0 56 60 1 1 0 0 0 58 61 1 1 0 0 0 59 62 1 6 0 0 0 57 63 1 6 0 0 0 64 63 1 1 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 64 1 0 0 0 0 60 70 1 0 0 0 0 69 71 1 6 0 0 0 68 72 1 6 0 0 0 66 73 1 6 0 0 0 67 74 1 1 0 0 0 18 75 1 1 0 0 0 28 76 1 1 0 0 0 28 77 1 6 0 0 0 25 78 1 0 0 0 0 M END > CFN90184 > Hederacoside D > 760961-03-3 > 98% > C53H86O22 > 1074.56 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Hederacoside-D-CFN90184.html $$$$ -ISIS- 10201511232D 79 87 0 0 0 0 0 0 0 0999 V2000 0.6417 -7.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6417 -8.7042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3000 -9.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9583 -8.7042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9583 -7.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3000 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -7.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6083 -7.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9208 -7.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9208 -6.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -6.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 -7.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -6.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5708 -6.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0167 -9.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 -9.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -8.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -9.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -5.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -5.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5708 -5.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -8.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -9.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -6.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -7.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -8.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6708 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -7.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9875 -7.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9875 -8.7042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3292 -9.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1958 -7.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2167 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -8.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5292 -7.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5292 -7.2000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8833 -6.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8875 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -7.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -9.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -9.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -8.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 -7.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -9.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -6.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -6.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -6.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -5.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2083 -6.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 -5.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8625 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2083 -4.5667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5500 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5167 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2083 -3.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -7.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -9.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1750 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1750 -5.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8333 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4875 -5.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4875 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8333 -4.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8333 -3.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1417 -6.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1417 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 1 0 0 0 0 23 33 2 0 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 40 32 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 42 46 1 1 0 0 0 37 47 1 6 0 0 0 38 48 1 1 0 0 0 39 49 1 6 0 0 0 43 50 1 6 0 0 0 18 51 1 1 0 0 0 28 52 1 1 0 0 0 28 53 1 6 0 0 0 25 54 1 0 0 0 0 36 55 1 1 0 0 0 55 56 1 0 0 0 0 44 57 1 1 0 0 0 45 58 1 6 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 59 1 0 0 0 0 62 65 1 1 0 0 0 61 66 1 6 0 0 0 64 67 1 6 0 0 0 63 68 1 6 0 0 0 1 69 1 1 0 0 0 46 70 1 0 0 0 0 71 65 1 6 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 71 1 0 0 0 0 76 77 1 6 0 0 0 74 78 1 6 0 0 0 75 79 1 1 0 0 0 M END > CFN90171 > Polygalasaponin F > 882664-74-6 > 98% > C53H86O23 > 1091.3 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Polygalasaponin-F-CFN90171.html $$$$ -ISIS- 10201511232D 88 97 0 0 0 0 0 0 0 0999 V2000 0.6417 -7.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6417 -8.7042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3000 -9.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9583 -8.7042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9583 -7.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3000 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -7.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6083 -7.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9208 -7.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9208 -6.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -6.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 -7.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -6.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5708 -6.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0167 -9.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 -9.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -8.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -9.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -5.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -5.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5708 -5.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -8.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -9.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -6.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -7.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -8.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6708 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -7.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9875 -7.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9875 -8.7042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3292 -9.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1958 -7.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2167 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -8.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5292 -7.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5292 -7.2000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8833 -6.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8875 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -7.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -9.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -9.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -8.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 -7.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -9.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -6.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -6.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -6.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -5.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2083 -6.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 -5.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8625 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2083 -4.5667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5500 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5167 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2083 -3.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -7.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -9.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1750 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1750 -5.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8333 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4875 -5.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4875 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8333 -4.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8333 -3.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1417 -6.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1417 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 -3.4292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5542 -3.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0625 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6833 -2.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9417 -2.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4167 -2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6833 -1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0750 -2.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 1 0 0 0 0 23 33 2 0 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 40 32 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 42 46 1 1 0 0 0 37 47 1 6 0 0 0 38 48 1 1 0 0 0 39 49 1 6 0 0 0 43 50 1 6 0 0 0 18 51 1 1 0 0 0 28 52 1 1 0 0 0 28 53 1 6 0 0 0 25 54 1 0 0 0 0 36 55 1 1 0 0 0 55 56 1 0 0 0 0 44 57 1 1 0 0 0 45 58 1 6 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 59 1 0 0 0 0 62 65 1 1 0 0 0 61 66 1 6 0 0 0 64 67 1 6 0 0 0 63 68 1 6 0 0 0 1 69 1 1 0 0 0 46 70 1 0 0 0 0 71 65 1 6 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 71 1 0 0 0 0 76 77 1 6 0 0 0 74 78 1 6 0 0 0 75 79 1 1 0 0 0 80 68 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 80 1 0 0 0 0 83 85 1 1 0 0 0 83 86 1 6 0 0 0 84 87 1 6 0 0 0 85 88 1 0 0 0 0 M END > CFN90650 > Polygalasaponin V > 162857-65-0 > 98% > C58H94O27 > 1222.59 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Polygalasaponin-V-CFN90650.html $$$$ -ISIS- 10201511232D 88 97 0 0 0 0 0 0 0 0999 V2000 0.3208 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 -7.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9792 -8.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6375 -7.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6375 -7.0167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9792 -6.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -7.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -7.0167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2875 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6000 -6.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6000 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -6.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -5.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2500 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3375 -8.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -8.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 -8.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -4.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2500 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -7.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -8.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -7.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 -7.7708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9917 -7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -7.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3083 -7.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6500 -8.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8750 -6.2667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8958 -7.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5625 -7.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2083 -7.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2083 -6.2667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5625 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -8.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -6.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -8.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -8.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -7.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 -7.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9667 -8.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6208 -10.0458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9667 -10.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3083 -10.0458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2792 -10.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2792 -8.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 -11.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6542 -10.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 -5.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8333 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4917 -5.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4917 -5.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8333 -4.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1750 -5.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1458 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8333 -3.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5208 -4.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1458 -4.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8042 -4.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4583 -4.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1167 -4.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1167 -3.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4583 -3.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8042 -3.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8042 -5.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1458 -3.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4583 -2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7708 -4.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7750 -3.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -6.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -8.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 1 0 0 0 0 23 33 2 0 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 40 32 1 6 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 44 46 1 6 0 0 0 42 47 1 6 0 0 0 37 48 1 1 0 0 0 38 49 1 1 0 0 0 39 50 1 6 0 0 0 41 51 1 1 0 0 0 43 52 1 1 0 0 0 53 50 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 53 1 0 0 0 0 56 59 1 1 0 0 0 55 60 1 6 0 0 0 57 61 1 6 0 0 0 58 62 1 6 0 0 0 46 63 1 0 0 0 0 64 63 1 1 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 64 1 0 0 0 0 66 70 1 1 0 0 0 68 71 1 1 0 0 0 69 72 1 6 0 0 0 67 73 1 6 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 74 1 0 0 0 0 70 80 1 0 0 0 0 79 81 1 6 0 0 0 78 82 1 6 0 0 0 76 83 1 6 0 0 0 77 84 1 1 0 0 0 18 85 1 1 0 0 0 28 86 1 1 0 0 0 28 87 1 6 0 0 0 25 88 1 0 0 0 0 M END > CFN90183 > Hederacoside C > 14216-03-6 > 98% > C59H96O26 > 1221.38 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Hederacoside-C-CFN90183.html $$$$ -ISIS- 10201511232D 78 86 0 0 0 0 0 0 0 0999 V2000 1.3083 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -7.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9667 -7.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6250 -7.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6250 -6.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9667 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -7.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -6.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2750 -5.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5875 -5.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5875 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -5.1958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2375 -4.8167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6500 -7.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 -8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -3.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2375 -4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -6.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -5.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -6.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 -7.0792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0042 -6.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -6.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3208 -7.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6625 -7.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8625 -5.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8833 -6.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5500 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1958 -6.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1958 -5.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5500 -5.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -5.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -7.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 -6.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -8.5958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9792 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -8.5958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6333 -9.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9792 -9.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3208 -9.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2917 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2917 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9792 -10.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6667 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5042 -5.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1625 -5.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8208 -5.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4792 -5.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4792 -4.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8208 -4.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1625 -4.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1333 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8208 -3.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1333 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7917 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -5.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -8.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 1 0 0 0 0 23 33 2 0 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 40 32 1 6 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 44 46 1 6 0 0 0 42 47 1 6 0 0 0 37 48 1 1 0 0 0 38 49 1 1 0 0 0 39 50 1 6 0 0 0 41 51 1 1 0 0 0 43 52 1 1 0 0 0 53 50 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 53 1 0 0 0 0 56 59 1 1 0 0 0 55 60 1 6 0 0 0 57 61 1 6 0 0 0 58 62 1 6 0 0 0 46 63 1 0 0 0 0 64 63 1 1 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 64 1 0 0 0 0 66 70 1 1 0 0 0 68 71 1 1 0 0 0 69 72 1 6 0 0 0 67 73 1 6 0 0 0 70 74 1 0 0 0 0 18 75 1 1 0 0 0 28 76 1 1 0 0 0 28 77 1 6 0 0 0 25 78 1 0 0 0 0 M END > CFN99150 > Dipsacoside B > 33289-85-9 > 98% > C53H86O22 > 1074.56 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Dipsacoside-B-CFN99150.html $$$$ -ISIS- 10201511232D 95105 0 0 0 0 0 0 0 0999 V2000 2.7500 -4.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7500 -5.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5500 -5.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3542 -5.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3542 -4.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5500 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -4.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1458 -3.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7417 -3.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7417 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -2.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5333 -2.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9500 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -1.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5333 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -4.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -6.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -2.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -5.2167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1542 -4.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -3.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4500 -4.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4500 -5.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3500 -5.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2458 -3.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -6.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 -3.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 -4.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9375 -5.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7333 -6.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5333 -5.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5333 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7333 -4.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3333 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7333 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -10.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -10.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -11.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -10.9083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5458 -10.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 -10.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 -11.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -11.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -11.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -7.5250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4500 -7.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4500 -8.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3500 -9.3708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1500 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -10.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -9.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -7.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 -6.9417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7542 -6.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -7.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7542 -8.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6750 -8.5417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1375 -7.7417 0.0000 C 0 0 1 0 0 0 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1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 2 0 0 0 0 23 33 1 0 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 37 40 1 6 0 0 0 38 41 1 1 0 0 0 39 42 1 6 0 0 0 18 43 1 1 0 0 0 28 44 1 1 0 0 0 28 45 1 6 0 0 0 25 46 1 0 0 0 0 36 47 1 1 0 0 0 47 48 1 0 0 0 0 1 49 1 1 0 0 0 50 33 1 6 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 50 1 0 0 0 0 53 56 1 6 0 0 0 52 57 1 6 0 0 0 51 58 1 1 0 0 0 59 60 1 0 0 0 0 59 61 2 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 62 66 1 1 0 0 0 62 67 1 6 0 0 0 68 42 1 6 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 68 1 0 0 0 0 71 74 1 6 0 0 0 70 75 1 6 0 0 0 69 76 1 1 0 0 0 77 58 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 77 1 0 0 0 0 80 83 1 1 0 0 0 79 84 1 6 0 0 0 82 85 1 6 0 0 0 81 86 1 6 0 0 0 64 74 1 0 0 0 0 59 83 1 0 0 0 0 87 86 1 6 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 87 1 0 0 0 0 89 93 1 6 0 0 0 88 94 1 1 0 0 0 90 95 1 1 0 0 0 M END > CFN99990 > Tubeimoside I > 102040-03-9 > 98% > C63H98O29 > 1319.46 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Tubeimoside-I-CFN99990.html $$$$ -ISIS- 10201511232D 89 98 0 0 0 0 0 0 0 0999 V2000 2.1833 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -4.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8500 -4.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5208 -4.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5208 -3.8000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8500 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -4.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -4.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -3.8000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1917 -3.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5292 -3.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5292 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -2.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1875 -2.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5125 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -1.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1875 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -4.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 10.9000 -4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5042 -6.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1750 -5.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -6.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8458 -6.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1750 -7.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5042 -6.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5167 -7.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5167 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -8.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -7.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2417 -2.6458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9083 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5792 -2.6458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5792 -1.8708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9083 -1.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2417 -1.8708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2500 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9083 -0.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 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10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 1 0 0 0 0 23 33 2 0 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 40 32 1 6 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 44 46 1 6 0 0 0 42 47 1 6 0 0 0 37 48 1 1 0 0 0 38 49 1 1 0 0 0 39 50 1 6 0 0 0 41 51 1 1 0 0 0 43 52 1 1 0 0 0 53 50 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 53 1 0 0 0 0 56 59 1 1 0 0 0 55 60 1 6 0 0 0 57 61 1 6 0 0 0 58 62 1 6 0 0 0 46 63 1 0 0 0 0 64 63 1 1 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 64 1 0 0 0 0 66 70 1 1 0 0 0 68 71 1 1 0 0 0 69 72 1 6 0 0 0 67 73 1 6 0 0 0 70 74 1 0 0 0 0 75 61 1 1 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 75 1 0 0 0 0 80 81 1 6 0 0 0 79 82 1 1 0 0 0 78 83 1 6 0 0 0 18 84 1 1 0 0 0 28 85 1 1 0 0 0 28 86 1 6 0 0 0 25 87 1 0 0 0 0 77 88 1 1 0 0 0 88 89 1 0 0 0 0 M END > CFN90672 > Macranthoidin A > 140360-29-8 > 98% > C59H96O27 > 1237.4 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Macranthoidin-A-CFN90672.html $$$$ -ISIS- 10201511232D 97107 0 0 0 0 0 0 0 0999 V2000 0.9833 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 -6.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6375 -7.0083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2958 -6.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2958 -5.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6375 -5.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -5.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9500 -5.4958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2625 -5.4958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2625 -4.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -4.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -5.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -4.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9083 -4.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3250 -7.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2958 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -3.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9083 -3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -6.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2958 -7.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -4.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -5.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3292 -6.6292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3292 -5.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -5.8708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6500 -6.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9875 -7.0083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5333 -5.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5542 -5.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2208 -6.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8667 -5.8833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8667 -5.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2208 -4.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -5.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -7.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -7.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -6.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -6.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -8.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3083 -7.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -8.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9625 -8.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3083 -9.2833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6500 -8.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6208 -9.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -7.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -10.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -9.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1792 -5.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8375 -4.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4917 -5.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1500 -4.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1500 -3.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4917 -3.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8375 -3.9833 0.0000 C 0 0 1 0 0 0 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0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6458 -13.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1375 -14.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6458 -15.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1375 -13.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6458 -12.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -11.5250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4125 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -10.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6667 -9.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9208 -10.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9208 -11.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6667 -8.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -9.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -11.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1583 -9.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -8.5042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1583 -8.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9083 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9083 -7.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1583 -7.2125 0.0000 C 0 0 1 0 0 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15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 6 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 1 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 18 30 1 1 0 0 0 10 31 1 6 0 0 0 4 32 1 6 0 0 0 23 33 1 0 0 0 0 23 34 2 0 0 0 0 28 35 1 6 0 0 0 28 36 1 1 0 0 0 1 37 1 1 0 0 0 2 19 1 1 0 0 0 38 19 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 38 1 0 0 0 0 42 44 1 1 0 0 0 40 45 1 1 0 0 0 45 46 1 0 0 0 0 41 47 1 6 0 0 0 43 48 1 6 0 0 0 20 49 2 0 0 0 0 20 50 1 0 0 0 0 24 51 1 0 0 0 0 52 33 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 52 1 0 0 0 0 56 58 1 1 0 0 0 55 59 1 1 0 0 0 54 60 1 1 0 0 0 57 61 1 6 0 0 0 59 62 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 66 1 0 0 0 0 69 72 1 0 0 0 0 72 73 1 0 0 0 0 74 58 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 74 1 0 0 0 0 77 80 1 1 0 0 0 76 81 1 6 0 0 0 78 82 1 6 0 0 0 79 83 1 6 0 0 0 84 61 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 84 1 0 0 0 0 87 90 1 1 0 0 0 88 91 1 6 0 0 0 89 92 1 6 0 0 0 86 93 1 6 0 0 0 94 90 1 1 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99 94 1 0 0 0 0 98100 1 1 0 0 0 99101 1 6 0 0 0 97102 1 6 0 0 0 103102 1 1 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 108103 1 0 0 0 0 107109 1 1 0 0 0 105110 1 1 0 0 0 108111 1 6 0 0 0 106112 1 1 0 0 0 110113 1 0 0 0 0 M END > CFN90600 > Onjisaponin B > 35906-36-6 > 98% > C75H112O35 > 1573.69 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Onjisaponin-B-CFN90600.html $$$$ -ISIS- 10201511232D 114125 0 0 0 0 0 0 0 0999 V2000 -1.1417 -9.6042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1417 -10.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4833 -10.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1792 -10.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1792 -9.6042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4833 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -10.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -10.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -9.6042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8250 -9.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1375 -9.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1375 -8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -9.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -8.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7875 -8.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8000 -10.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -11.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -9.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1042 -11.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -6.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7875 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -9.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -11.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -9.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4542 -10.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4542 -9.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -9.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7708 -9.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7708 -10.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1125 -10.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4125 -8.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4333 -9.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -9.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7458 -9.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7458 -8.8542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1000 -8.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1042 -10.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 -10.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -11.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -9.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -8.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -11.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -8.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 -8.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1083 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -7.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4292 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -7.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0792 -6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4292 -6.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7667 -6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7333 -6.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -6.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -5.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -9.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3917 -7.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0542 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -7.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7042 -6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0542 -6.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0542 -5.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3583 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3583 -6.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -5.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7708 -5.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2833 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -4.1708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1583 -4.3292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6375 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -3.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -3.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2917 -4.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -12.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -10.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0167 -6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0167 -7.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3292 -7.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3292 -6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6750 -6.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9875 -6.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9875 -7.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 -5.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0583 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0583 -8.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -9.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0250 -9.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0250 -10.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6833 -11.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -10.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -9.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6833 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9958 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6500 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9958 -11.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6500 -10.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6833 -11.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -12.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 1 0 0 0 0 23 33 2 0 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 40 32 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 42 46 1 1 0 0 0 37 47 1 6 0 0 0 38 48 1 1 0 0 0 39 49 1 6 0 0 0 43 50 1 1 0 0 0 18 51 1 1 0 0 0 28 52 1 1 0 0 0 28 53 1 6 0 0 0 25 54 1 0 0 0 0 36 55 1 1 0 0 0 55 56 1 0 0 0 0 44 57 1 1 0 0 0 45 58 1 6 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 59 1 0 0 0 0 62 65 1 1 0 0 0 61 66 1 6 0 0 0 64 67 1 6 0 0 0 63 68 1 6 0 0 0 1 69 1 1 0 0 0 70 65 1 6 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 70 1 0 0 0 0 75 76 1 6 0 0 0 73 77 1 6 0 0 0 74 78 1 1 0 0 0 79 68 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 79 1 0 0 0 0 82 84 1 1 0 0 0 82 85 1 6 0 0 0 83 86 1 6 0 0 0 84 87 1 0 0 0 0 25 88 2 0 0 0 0 24 89 1 0 0 0 0 90 78 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 90 1 0 0 0 0 94 96 1 1 0 0 0 93 97 1 1 0 0 0 95 98 1 6 0 0 0 50 99 1 0 0 0 0 99100 2 0 0 0 0 99101 1 0 0 0 0 101102 2 0 0 0 0 102103 1 0 0 0 0 103104 2 0 0 0 0 104105 1 0 0 0 0 105106 2 0 0 0 0 106107 1 0 0 0 0 107108 2 0 0 0 0 108103 1 0 0 0 0 107109 1 0 0 0 0 109110 1 0 0 0 0 106111 1 0 0 0 0 111112 1 0 0 0 0 105113 1 0 0 0 0 113114 1 0 0 0 0 M END > CFN90728 > Polygalasaponin XXXI > 79103-90-5 > 98% > C75H112O36 > 1589.67 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Polygalasaponin-XXXI-CFN90728.html $$$$ -ISIS- 10201511232D 49 54 0 0 0 0 0 0 0 0999 V2000 5.5625 -7.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5625 -8.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3083 -8.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0583 -8.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0583 -7.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3083 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -8.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8042 -7.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3042 -7.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3042 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -6.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8125 -8.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -9.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -4.4917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -6.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -7.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -9.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2958 -6.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3667 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -9.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -3.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -7.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -9.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3167 -8.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -9.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -10.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3167 -10.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0667 -10.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3167 -11.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -10.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 -10.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 18 30 1 1 0 0 0 10 31 1 6 0 0 0 4 32 1 6 0 0 0 23 33 1 0 0 0 0 23 34 2 0 0 0 0 28 35 1 6 0 0 0 28 36 1 1 0 0 0 25 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 2 0 0 0 0 1 40 1 1 0 0 0 2 19 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 41 1 0 0 0 0 41 19 1 1 0 0 0 45 47 1 1 0 0 0 46 48 1 6 0 0 0 44 49 1 6 0 0 0 M END > CFN98166 > Esculentoside E > 65649-36-7 > 98% > C35H54O11 > 650.80 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Esculentoside-E-CFN98166.html $$$$ -ISIS- 10201511232D 50 55 0 0 0 0 0 0 0 0999 V2000 5.5625 -7.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5625 -8.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3083 -8.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0583 -8.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0583 -7.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3083 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -8.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8042 -7.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3042 -7.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3042 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -6.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8125 -8.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -9.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -4.4917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -6.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -7.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -9.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2958 -6.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3667 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -9.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -3.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0708 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -7.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -9.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3167 -8.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -9.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -10.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3167 -10.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0667 -10.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3167 -11.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -10.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 -10.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 18 30 1 1 0 0 0 10 31 1 6 0 0 0 4 32 1 6 0 0 0 23 33 1 0 0 0 0 23 34 2 0 0 0 0 28 35 1 6 0 0 0 28 36 1 1 0 0 0 25 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 2 0 0 0 0 38 40 1 0 0 0 0 1 41 1 1 0 0 0 2 19 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 42 19 1 1 0 0 0 46 48 1 1 0 0 0 47 49 1 6 0 0 0 45 50 1 6 0 0 0 M END > CFN98163 > Esculentoside B > 60820-94-2 > 98% > C36H56O11 > 664.82 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Esculentoside-B-CFN98163.html $$$$ -ISIS- 10201511232D 52 57 0 0 0 0 0 0 0 0999 V2000 5.5625 -7.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5625 -8.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3083 -8.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0583 -8.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0583 -7.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3083 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -8.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -7.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8042 -7.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3042 -7.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3042 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -6.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0500 -5.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8125 -8.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -9.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -4.4917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -6.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -7.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -9.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2958 -6.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3667 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -9.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -3.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0708 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -7.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -9.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3167 -8.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -9.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5667 -10.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3167 -10.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0667 -10.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3167 -11.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -10.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 -10.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 -8.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -9.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 18 30 1 1 0 0 0 10 31 1 6 0 0 0 4 32 1 6 0 0 0 23 33 1 0 0 0 0 23 34 2 0 0 0 0 28 35 1 6 0 0 0 28 36 1 1 0 0 0 25 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 2 0 0 0 0 38 40 1 0 0 0 0 1 41 1 1 0 0 0 2 19 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 42 19 1 1 0 0 0 46 48 1 1 0 0 0 47 49 1 6 0 0 0 45 50 1 6 0 0 0 44 51 1 1 0 0 0 51 52 1 0 0 0 0 M END > CFN98165 > Esculentoside D > 89808-50-4 > 98% > C37H58O12 > 694.85 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Esculentoside-D-CFN98165.html $$$$ -ISIS- 10201511232D 60 66 0 0 0 0 0 0 0 0999 V2000 3.7583 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 -7.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5042 -7.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2542 -7.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2542 -6.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -6.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0000 -5.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5000 -5.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5000 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -4.8458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2458 -4.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0083 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -8.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -8.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -3.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2458 -3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -6.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -4.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -6.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -8.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 -7.8667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5125 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -8.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5125 -9.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2625 -8.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5125 -10.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 -9.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -9.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7292 -8.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7333 -7.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -7.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2333 -7.8708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2333 -8.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4833 -9.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9792 -9.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9792 -7.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -10.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -6.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 18 30 1 1 0 0 0 10 31 1 6 0 0 0 4 32 1 6 0 0 0 23 33 1 0 0 0 0 23 34 2 0 0 0 0 28 35 1 6 0 0 0 28 36 1 1 0 0 0 25 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 2 0 0 0 0 38 40 1 0 0 0 0 2 19 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 41 1 0 0 0 0 41 19 1 1 0 0 0 45 47 1 1 0 0 0 46 48 1 6 0 0 0 44 49 1 6 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 50 1 0 0 0 0 54 56 1 1 0 0 0 52 57 1 1 0 0 0 53 58 1 6 0 0 0 55 59 1 6 0 0 0 57 60 1 0 0 0 0 M END > CFN98164 > Esculentoside C > 65931-92-2 > 98% > C42H66O15 > 810.97 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Esculentoside-C-CFN98164.html $$$$ -ISIS- 10201511232D 61 67 0 0 0 0 0 0 0 0999 V2000 3.7583 -6.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7583 -7.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5042 -7.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2542 -7.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2542 -6.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -6.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0000 -5.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5000 -5.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5000 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -4.8458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2458 -4.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0083 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -8.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -8.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -3.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2458 -3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -6.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -4.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -6.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -8.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 -5.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 -7.8667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5125 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -8.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5125 -9.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2625 -8.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5125 -10.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 -9.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -9.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7292 -8.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7333 -7.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -7.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2333 -7.8708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2333 -8.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4833 -9.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9792 -9.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9792 -7.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -10.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -6.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 18 30 1 1 0 0 0 10 31 1 6 0 0 0 4 32 1 6 0 0 0 23 33 1 0 0 0 0 23 34 2 0 0 0 0 28 35 1 6 0 0 0 28 36 1 1 0 0 0 25 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 2 0 0 0 0 38 40 1 0 0 0 0 1 41 1 1 0 0 0 2 19 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 42 19 1 1 0 0 0 46 48 1 1 0 0 0 47 49 1 6 0 0 0 45 50 1 6 0 0 0 51 50 1 1 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 51 1 0 0 0 0 55 57 1 1 0 0 0 53 58 1 1 0 0 0 54 59 1 6 0 0 0 56 60 1 6 0 0 0 58 61 1 0 0 0 0 M END > CFN98162 > Esculentoside A > 65497-07-6 > 98% > C42H66O16 > 826.96 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Esculentoside-A-CFN98162.html $$$$ -ISIS- 10201511232D 72 79 0 0 0 0 0 0 0 0999 V2000 2.9083 -15.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9083 -15.9292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6542 -16.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4042 -15.9292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4042 -15.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -16.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -15.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -15.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1500 -14.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6500 -14.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6500 -13.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -13.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -13.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -15.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -13.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3958 -13.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1583 -16.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -17.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -15.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -17.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -13.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -12.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -12.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3958 -12.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -14.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -15.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -16.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -13.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -15.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 -11.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -11.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -17.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -11.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -10.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -10.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 -14.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -16.7917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6625 -16.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -16.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -17.6583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6625 -18.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4125 -17.6583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6625 -18.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 -18.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -18.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5792 -17.6583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5833 -16.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -16.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0833 -16.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0833 -17.6583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3333 -18.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8292 -18.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -15.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8292 -16.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -18.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -15.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 -14.2000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3875 -15.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1375 -15.4958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8833 -15.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8833 -14.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1375 -13.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -16.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6292 -13.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -15.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6292 -15.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3750 -14.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 18 30 1 1 0 0 0 10 31 1 6 0 0 0 4 32 1 6 0 0 0 23 33 1 0 0 0 0 23 34 2 0 0 0 0 28 35 1 6 0 0 0 28 36 1 1 0 0 0 25 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 2 0 0 0 0 38 40 1 0 0 0 0 1 41 1 1 0 0 0 2 19 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 42 19 1 1 0 0 0 46 48 1 1 0 0 0 47 49 1 6 0 0 0 45 50 1 6 0 0 0 51 50 1 1 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 51 1 0 0 0 0 55 57 1 1 0 0 0 53 58 1 1 0 0 0 54 59 1 6 0 0 0 56 60 1 6 0 0 0 58 61 1 0 0 0 0 62 33 1 6 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 62 1 0 0 0 0 64 68 1 6 0 0 0 66 69 1 6 0 0 0 63 70 1 1 0 0 0 65 71 1 1 0 0 0 69 72 1 0 0 0 0 M END > CFN90657 > Esculentoside H > 66656-92-6 > 98% > C48H76O21 > 989.1 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Esculentoside-H-CFN90657.html $$$$ -ISIS- 10201511232D 60 66 0 0 0 0 0 0 0 0999 V2000 2.9083 -15.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9083 -15.9292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6542 -16.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4042 -15.9292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4042 -15.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -16.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -15.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -15.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1500 -14.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6500 -14.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6500 -13.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -13.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -13.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -15.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -13.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3958 -13.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 -16.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -17.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -14.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -15.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -17.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -13.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -12.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -12.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3958 -12.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -15.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -16.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -13.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -15.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 -11.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -11.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -17.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -11.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -10.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -10.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 -14.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -16.7917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6625 -16.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -16.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -17.6583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6625 -18.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4125 -17.6583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6625 -18.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 -18.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -18.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5792 -17.6583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5833 -16.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -16.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0833 -16.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0833 -17.6583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3333 -18.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8292 -18.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -15.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8292 -16.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -18.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -15.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 2 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 10 30 1 6 0 0 0 4 31 1 6 0 0 0 23 32 1 0 0 0 0 23 33 2 0 0 0 0 28 34 1 6 0 0 0 28 35 1 1 0 0 0 25 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 2 0 0 0 0 37 39 1 0 0 0 0 1 40 1 1 0 0 0 2 19 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 41 1 0 0 0 0 41 19 1 1 0 0 0 45 47 1 1 0 0 0 46 48 1 6 0 0 0 44 49 1 6 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 50 1 0 0 0 0 54 56 1 1 0 0 0 52 57 1 1 0 0 0 53 58 1 6 0 0 0 55 59 1 6 0 0 0 57 60 1 0 0 0 0 M END > CFN90658 > Esculentoside T > N/A > 98% > C42H64O16 > 824.4 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Esculentoside-T-CFN90658.html $$$$ -ISIS- 10201511232D 78 87 0 0 0 0 0 0 0 0999 V2000 7.6583 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4083 -12.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1542 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1542 -11.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4083 -10.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -12.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -11.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8958 -10.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3958 -10.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3958 -10.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6458 -9.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1375 -11.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8833 -10.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8833 -10.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1375 -9.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9083 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -10.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -10.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6333 -10.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -11.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6333 -9.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6333 -8.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8833 -8.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1375 -8.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4542 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3167 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -13.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -11.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -12.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1667 -11.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -10.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -11.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6750 -12.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4250 -12.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4250 -13.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -10.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1417 -10.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3917 -9.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6292 -11.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -14.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6792 -14.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -15.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4250 -16.0375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1708 -15.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1708 -14.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9167 -16.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -16.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -14.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -16.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -16.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5917 -7.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8833 -6.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -10.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6833 -9.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 -8.7083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9375 -8.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1917 -8.7083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1917 -9.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4250 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -7.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -7.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -9.5667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7000 -8.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -8.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -8.7083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2083 -9.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9542 -10.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9542 -10.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -8.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 1 0 0 0 12 43 1 1 0 0 0 43 23 1 1 0 0 0 18 44 1 1 0 0 0 16 45 1 6 0 0 0 46 40 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 46 1 0 0 0 0 50 52 1 1 0 0 0 48 53 1 1 0 0 0 51 54 1 6 0 0 0 49 55 1 6 0 0 0 53 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 2 0 0 0 0 59 42 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 59 1 0 0 0 0 61 65 1 1 0 0 0 63 66 1 1 0 0 0 62 67 1 6 0 0 0 64 68 1 6 0 0 0 65 69 1 0 0 0 0 70 68 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 70 1 0 0 0 0 75 76 1 6 0 0 0 74 77 1 1 0 0 0 73 78 1 6 0 0 0 M END > CFN90177 > Ardisiacrispin A > 23643-61-0 > 98% > C52H84O22 > 1061.21 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Ardisiacrispin-A-CFN90177.html $$$$ -ISIS- 10201511232D 61 67 0 0 0 0 0 0 0 0999 V2000 6.7250 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -6.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5167 -6.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3042 -6.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3042 -5.3167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5167 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8833 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8833 -5.3167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0917 -4.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6750 -4.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6750 -3.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8833 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -3.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4583 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 -3.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4583 -3.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9292 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -7.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8833 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0417 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6750 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -7.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0417 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0417 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 -2.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4583 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7958 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7083 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -7.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -5.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -6.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1458 -5.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -4.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5708 -5.3167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5708 -6.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3625 -6.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3625 -7.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -4.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -8.5083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5750 -8.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -9.8708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3625 -10.3292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1500 -9.8708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1500 -8.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9417 -10.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -8.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -11.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -11.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8833 -1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 -0.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -3.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 -9.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4583 -4.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 6 0 0 0 43 40 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 47 49 1 1 0 0 0 45 50 1 1 0 0 0 48 51 1 6 0 0 0 46 52 1 6 0 0 0 50 53 2 0 0 0 0 30 54 1 0 0 0 0 30 55 2 0 0 0 0 36 56 1 1 0 0 0 56 57 1 0 0 0 0 56 58 2 0 0 0 0 50 59 1 0 0 0 0 18 60 1 1 0 0 0 14 61 2 0 0 0 0 M END > CFN99151 > Glycyrrhizic acid > 1405-86-3 > 98% > C42H62O16 > 822.92 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Glycyrrhizic-acid-CFN99151.html $$$$ -ISIS- 10201511232D 62 67 0 0 0 0 0 0 0 0999 V2000 6.7250 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -6.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5167 -6.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3042 -6.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3042 -5.3167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5167 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8833 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8833 -5.3167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0917 -4.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6750 -4.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6750 -3.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8833 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -3.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4583 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 -3.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4583 -3.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9292 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -7.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8833 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0417 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6750 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -7.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0417 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0417 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 -2.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4583 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7958 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7083 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -7.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -5.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -6.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1458 -5.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -4.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5708 -5.3167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5708 -6.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3625 -6.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3625 -7.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -4.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -8.5083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5750 -8.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -9.8708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3625 -10.3292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1500 -9.8708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1500 -8.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9417 -10.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -8.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -11.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -11.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8833 -1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 -0.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -3.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 -9.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4583 -4.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 -6.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 28 30 1 1 0 0 0 28 31 1 6 0 0 0 4 32 1 6 0 0 0 10 33 1 6 0 0 0 2 19 1 1 0 0 0 34 19 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 6 0 0 0 43 40 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 47 49 1 1 0 0 0 45 50 1 1 0 0 0 48 51 1 6 0 0 0 46 52 1 6 0 0 0 50 53 2 0 0 0 0 30 54 1 0 0 0 0 30 55 2 0 0 0 0 36 56 1 1 0 0 0 56 57 1 0 0 0 0 56 58 2 0 0 0 0 50 59 1 0 0 0 0 18 60 1 1 0 0 0 14 61 2 0 0 0 0 M END > CFN99153 > Glycyrrhizic acid ammonium salt > 53956-04-0 > 98% > C42H65NO16 > 839.96 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Glycyrrhizic-acid-ammonium-salt-CFN99153.html $$$$