-ISIS- 10201511232D 51 57 0 0 0 0 0 0 0 0999 V2000 3.0167 -7.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0167 -8.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8167 -9.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6208 -8.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6208 -7.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8167 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -9.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -7.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4125 -7.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0125 -7.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0125 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8083 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -7.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6083 -6.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8083 -5.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2125 -9.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8083 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -8.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -9.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -6.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -7.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -8.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4167 -7.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -7.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1917 -7.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1917 -8.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6125 -9.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9875 -7.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -9.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -10.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8083 -6.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0708 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -10.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -5.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -7.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -10.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -8.2917 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 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 49 20 1 0 0 0 0 20 50 2 0 0 0 0 16 51 1 6 0 0 0 M END > CFN92267 > Platycoside M1 > 917482-67-8 > 98% > C36H54O12 > 678.8 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Platycoside-M1-CFN92267.html $$$$ -ISIS- 10201511232D 79 88 0 0 0 0 0 0 0 0999 V2000 0.7042 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7042 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0875 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0875 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3958 -8.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -9.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -9.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7708 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1500 -8.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1500 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -8.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5250 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8333 -6.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0125 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9958 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -5.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8333 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -8.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -10.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -8.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -9.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6750 -8.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -8.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0583 -8.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0583 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3667 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7458 -8.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -10.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -6.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -8.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -8.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -7.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5875 -8.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -8.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -8.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9667 -7.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2792 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6583 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -8.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6583 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3500 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6583 -4.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9667 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0375 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -4.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -3.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -2.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0375 -2.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3458 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3458 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 -2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -11.2083 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 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 16 50 1 6 0 0 0 51 32 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 54 58 1 1 0 0 0 56 59 1 6 0 0 0 60 59 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 62 66 1 6 0 0 0 65 67 1 6 0 0 0 64 68 1 6 0 0 0 63 69 1 1 0 0 0 70 69 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 72 76 1 6 0 0 0 73 77 1 1 0 0 0 71 78 1 1 0 0 0 49 20 1 0 0 0 0 20 79 2 0 0 0 0 M END > CFN92272 > Platycoside M3 > 917482-69-0 > 98% > C52H80O24 > 1089.2 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Platycoside-M3-CFN92272.html $$$$ -ISIS- 10201511232D 89 98 0 0 0 0 0 0 0 0999 V2000 0.7042 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7042 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0875 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0875 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3958 -8.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -9.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -9.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7708 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1500 -8.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1500 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -8.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5250 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8333 -6.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0125 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9958 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -5.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8333 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -8.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -10.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -8.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -9.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6750 -8.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -8.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0583 -8.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0583 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3667 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7458 -8.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -10.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -6.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -8.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -8.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -7.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5875 -8.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -8.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -8.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9667 -7.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2792 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6583 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -8.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6583 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3500 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6583 -4.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9667 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0375 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -4.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -3.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -2.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0375 -2.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3458 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3458 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 -2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 -1.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0583 -1.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8125 -0.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0167 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7708 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6083 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5042 -0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8167 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -11.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -10.5208 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 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 16 50 1 6 0 0 0 51 32 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 54 58 1 1 0 0 0 56 59 1 6 0 0 0 60 59 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 62 66 1 6 0 0 0 65 67 1 6 0 0 0 64 68 1 6 0 0 0 63 69 1 1 0 0 0 70 69 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 72 76 1 6 0 0 0 73 77 1 1 0 0 0 71 78 1 1 0 0 0 79 76 1 6 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 81 84 1 6 0 0 0 81 85 1 1 0 0 0 80 86 1 1 0 0 0 84 87 1 0 0 0 0 20 88 1 0 0 0 0 20 89 2 0 0 0 0 M END > CFN92268 > Platyconic acid A > 68051-23-0 > 98% > C57H90O29 > 1239.3 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Platyconic-acid-A-CFN92268.html $$$$ -ISIS- 10201511232D 92101 0 0 0 0 0 0 0 0999 V2000 0.7042 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7042 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0875 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0875 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3958 -8.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -9.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -9.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7708 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1500 -8.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1500 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -8.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5250 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8333 -6.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0125 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9958 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -5.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8333 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -8.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -10.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -8.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -9.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6750 -8.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -8.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0583 -8.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0583 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3667 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7458 -8.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -10.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -6.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -8.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -8.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -7.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5875 -8.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -8.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -8.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9667 -7.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2792 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6583 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -8.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6583 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3500 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6583 -4.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9667 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0375 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -4.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -3.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -2.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0375 -2.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3458 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3458 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 -2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 -1.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0583 -1.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8125 -0.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0167 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7708 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6083 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5042 -0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8167 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -11.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9708 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9708 -2.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -4.1625 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 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 16 50 1 6 0 0 0 51 32 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 54 58 1 1 0 0 0 56 59 1 6 0 0 0 60 59 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 62 66 1 6 0 0 0 65 67 1 6 0 0 0 64 68 1 6 0 0 0 63 69 1 1 0 0 0 70 69 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 72 76 1 6 0 0 0 73 77 1 1 0 0 0 71 78 1 1 0 0 0 79 76 1 6 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 81 84 1 6 0 0 0 81 85 1 1 0 0 0 80 86 1 1 0 0 0 84 87 1 0 0 0 0 20 88 1 0 0 0 0 20 89 2 0 0 0 0 68 90 1 0 0 0 0 90 91 2 0 0 0 0 90 92 1 0 0 0 0 M END > CFN92354 > 3''-O-acetyl-platyconic acid A > 1256935-28-0 > 98% > C59H92O30 > 1281.4 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/3-O-acetyl-platyconic-acid-A-CFN92354.html $$$$ -ISIS- 10201511232D 92101 0 0 0 0 0 0 0 0999 V2000 0.7042 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7042 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0875 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0875 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3958 -8.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -9.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -9.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7708 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1500 -8.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1500 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -8.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5250 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8333 -6.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0125 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9958 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -5.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8333 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -8.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -10.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -8.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -9.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6750 -8.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -8.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0583 -8.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0583 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3667 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7458 -8.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -10.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -6.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -8.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -8.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -7.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5875 -8.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -8.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -8.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9667 -7.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2792 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6583 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -8.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6583 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3500 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6583 -4.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9667 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0375 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -4.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -3.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -2.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0375 -2.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3458 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3458 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 -2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 -1.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0583 -1.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8125 -0.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0167 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7708 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6083 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5042 -0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8167 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -11.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -3.7667 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 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 16 50 1 6 0 0 0 51 32 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 54 58 1 1 0 0 0 56 59 1 6 0 0 0 60 59 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 62 66 1 6 0 0 0 65 67 1 6 0 0 0 64 68 1 6 0 0 0 63 69 1 1 0 0 0 70 69 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 72 76 1 6 0 0 0 73 77 1 1 0 0 0 71 78 1 1 0 0 0 79 76 1 6 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 81 84 1 6 0 0 0 81 85 1 1 0 0 0 80 86 1 1 0 0 0 84 87 1 0 0 0 0 20 88 1 0 0 0 0 20 89 2 0 0 0 0 67 90 1 0 0 0 0 90 91 2 0 0 0 0 90 92 1 0 0 0 0 M END > CFN92353 > 2''-O-acetyl-platyconic acid A > 1256935-30-4 > 98% > C59H92O30 > 1281.4 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/2-O-acetyl-platyconic-acid-A-CFN92353.html $$$$ -ISIS- 10201511232D 62 68 0 0 0 0 0 0 0 0999 V2000 3.0167 -7.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0167 -8.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8167 -9.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6208 -8.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6208 -7.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8167 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -9.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -7.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4125 -7.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0125 -7.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0125 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8083 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -7.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6083 -6.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8083 -5.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2125 -9.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -4.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8083 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -8.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -9.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -6.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -7.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -8.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4167 -7.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -7.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1917 -7.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1917 -8.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6125 -9.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9875 -7.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -9.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -10.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8083 -6.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0708 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -10.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -5.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -7.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -10.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -8.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -8.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7875 -7.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -7.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3875 -7.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3875 -8.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5875 -9.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5875 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 -9.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 -7.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -10.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 -5.9792 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 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 20 50 1 0 0 0 0 16 51 1 6 0 0 0 52 41 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 54 58 1 1 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 0 0 0 0 M END > CFN92271 > Platycoside K > 899447-64-4 > 98% > C42H68O17 > 845.0 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Platycoside-K-CFN92271.html $$$$ -ISIS- 10201511232D 90 99 0 0 0 0 0 0 0 0999 V2000 -0.2667 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2667 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4250 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1167 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1167 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4250 -8.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -9.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -9.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8000 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1792 -8.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1792 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -8.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5542 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8625 -6.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9583 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -5.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8625 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -8.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -10.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -8.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -9.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6458 -8.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -8.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0292 -8.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0292 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3375 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7167 -8.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -7.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -10.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -6.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -8.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 -10.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -8.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -7.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6208 -8.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 -8.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -8.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0000 -7.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3083 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -8.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6875 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3792 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -4.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0000 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0667 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -4.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7583 -3.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7583 -2.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0667 -2.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3792 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4458 -2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4458 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -6.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3375 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0250 -4.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7167 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7167 -5.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4042 -4.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4042 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -3.7500 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 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 20 50 1 0 0 0 0 16 51 1 6 0 0 0 52 32 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 57 60 1 6 0 0 0 61 60 1 1 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 63 67 1 6 0 0 0 66 68 1 6 0 0 0 65 69 1 6 0 0 0 64 70 1 1 0 0 0 71 70 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 73 77 1 6 0 0 0 74 78 1 1 0 0 0 72 79 1 1 0 0 0 80 48 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 85 1 0 0 0 0 85 80 1 0 0 0 0 84 86 1 1 0 0 0 82 87 1 1 0 0 0 85 88 1 6 0 0 0 83 89 1 6 0 0 0 87 90 1 0 0 0 0 M END > CFN92269 > Deapi-platycodin D3 > 67884-05-3 > 98% > C58H94O29 > 1255.4 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Deapi-platycodin-D3-CFN92269.html $$$$ -ISIS- 10201511232D 90 99 0 0 0 0 0 0 0 0999 V2000 2.7333 -8.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7333 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4250 -10.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1167 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1167 -8.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4250 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -9.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -8.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8000 -8.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1792 -8.4167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1792 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -8.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5542 -7.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8625 -7.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0417 -10.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -10.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -9.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -10.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -6.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8625 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -9.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -10.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -7.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -8.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -9.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3542 -8.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -8.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0292 -8.8083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0292 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6625 -10.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7167 -8.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -10.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -10.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -8.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -10.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -7.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -8.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -10.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -9.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 -9.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4042 -8.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -8.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7875 -8.8083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7875 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0958 -10.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0958 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -10.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -8.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -10.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6208 -8.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6208 -8.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3083 -9.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -8.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0000 -8.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3083 -7.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6875 -7.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6875 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3083 -6.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6875 -6.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3792 -5.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6875 -5.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0000 -5.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0667 -6.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -5.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6875 -4.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0667 -5.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0667 -4.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7583 -4.0458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7583 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0667 -2.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3792 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -4.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4458 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0667 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4458 -4.4417 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 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 20 50 1 0 0 0 0 16 51 1 6 0 0 0 52 41 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 54 58 1 1 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 0 0 0 0 63 32 1 1 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 68 1 0 0 0 0 68 63 1 0 0 0 0 67 69 1 1 0 0 0 66 70 1 1 0 0 0 68 71 1 6 0 0 0 72 71 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 74 78 1 6 0 0 0 77 79 1 6 0 0 0 76 80 1 6 0 0 0 75 81 1 1 0 0 0 82 81 1 6 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 87 1 0 0 0 0 87 82 1 0 0 0 0 84 88 1 6 0 0 0 85 89 1 1 0 0 0 83 90 1 1 0 0 0 M END > CFN92270 > Platycoside A > 209404-00-2 > 98% > C58H94O29 > 1255.4 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Platycoside-A-CFN92270.html $$$$ -ISIS- 10201511232D 101111 0 0 0 0 0 0 0 0999 V2000 -0.2667 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2667 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4250 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1167 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1167 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4250 -8.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -9.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -9.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8000 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1792 -8.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1792 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -8.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5542 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8625 -6.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9583 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -5.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8625 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -8.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -10.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -8.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -9.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6458 -8.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -8.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0292 -8.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0292 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3375 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7167 -8.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -7.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -10.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -6.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -8.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 -10.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -8.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -7.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6208 -8.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 -8.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -8.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0000 -7.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3083 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -8.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6875 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3792 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -4.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0000 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0667 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -4.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7583 -3.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7583 -2.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0667 -2.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3792 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4458 -2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4458 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -6.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3375 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0250 -4.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7167 -4.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7167 -5.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4042 -4.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4042 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -3.3542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2667 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4208 -3.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4208 -2.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2667 -2.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9583 -2.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2667 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -3.3542 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 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 20 50 1 0 0 0 0 16 51 1 6 0 0 0 52 32 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 57 60 1 6 0 0 0 61 60 1 1 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 63 67 1 6 0 0 0 66 68 1 6 0 0 0 65 69 1 6 0 0 0 64 70 1 1 0 0 0 71 70 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 73 77 1 6 0 0 0 74 78 1 1 0 0 0 72 79 1 1 0 0 0 80 48 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 85 1 0 0 0 0 85 80 1 0 0 0 0 84 86 1 1 0 0 0 82 87 1 1 0 0 0 85 88 1 6 0 0 0 83 89 1 6 0 0 0 87 90 1 0 0 0 0 91 90 1 1 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 96 1 0 0 0 0 96 91 1 0 0 0 0 95 97 1 1 0 0 0 93 98 1 1 0 0 0 96 99 1 6 0 0 0 94100 1 6 0 0 0 98101 1 0 0 0 0 M END > CFN92355 > Deapi-platycoside E > 849758-42-5 > 98% > C64H104O34 > 1417.5 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Deapi-platycoside-E-CFN92355.html $$$$ -ISIS- 10201511232D 79 87 0 0 0 0 0 0 0 0999 V2000 2.7333 -8.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7333 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4250 -10.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1167 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1167 -8.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4250 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -10.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -9.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -8.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8000 -8.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1792 -8.4167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1792 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -8.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -8.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5542 -7.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8625 -7.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0417 -10.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -10.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -8.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -9.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -10.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -6.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8625 -6.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -9.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -10.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -7.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -8.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -9.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3542 -8.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -8.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0292 -8.8083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0292 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6625 -10.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7167 -8.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -10.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -10.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -8.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -5.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -10.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -7.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -8.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -10.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -9.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6208 -8.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6208 -8.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3083 -9.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -8.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0000 -8.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3083 -7.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6875 -7.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6875 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3083 -6.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6875 -6.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -6.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3792 -5.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6875 -5.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0000 -5.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0667 -6.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -5.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6875 -4.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0667 -5.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0667 -4.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7583 -4.0458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7583 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0667 -2.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3792 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -4.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4458 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0667 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4458 -4.4417 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 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 20 50 1 0 0 0 0 16 51 1 6 0 0 0 52 32 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 57 60 1 6 0 0 0 61 60 1 1 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 63 67 1 6 0 0 0 66 68 1 6 0 0 0 65 69 1 6 0 0 0 64 70 1 1 0 0 0 71 70 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 73 77 1 6 0 0 0 74 78 1 1 0 0 0 72 79 1 1 0 0 0 M END > CFN90472 > Deapi-platycodin D > 78763-58-3 > 98% > C52H84O24 > 1093.21 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Deapi-platycodin-D-CFN90472.html $$$$ -ISIS- 10201511232D 88 97 0 0 0 0 0 0 0 0999 V2000 -0.2667 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2667 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4250 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1167 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1167 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4250 -8.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -9.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -9.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -8.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8000 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1792 -8.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1792 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -8.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -8.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5542 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8625 -6.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9583 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -5.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8625 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -8.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -10.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -8.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -9.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6458 -8.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -8.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0292 -8.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0292 -9.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3375 -9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7167 -8.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 -9.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -10.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -7.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -10.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -6.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -8.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 -10.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -8.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -7.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6208 -8.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 -8.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -8.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0000 -7.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3083 -7.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -7.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -8.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6875 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -6.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3792 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -4.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0000 -5.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0667 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -4.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7583 -3.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7583 -2.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0667 -2.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3792 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4458 -2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4458 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4458 -1.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0917 -1.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8458 -0.5458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0458 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8458 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6125 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8458 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 0.4583 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 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 20 50 1 0 0 0 0 16 51 1 6 0 0 0 52 32 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 57 60 1 6 0 0 0 61 60 1 1 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 63 67 1 6 0 0 0 66 68 1 6 0 0 0 65 69 1 6 0 0 0 64 70 1 1 0 0 0 71 70 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 73 77 1 6 0 0 0 74 78 1 1 0 0 0 72 79 1 1 0 0 0 80 77 1 6 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 81 85 1 1 0 0 0 82 86 1 1 0 0 0 82 87 1 6 0 0 0 87 88 1 0 0 0 0 M END > CFN98134 > Platycodin D > 58479-68-8 > 98% > C57H92O28 > 1225.33 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Platycodin-D-CFN98134.html $$$$