-ISIS- 10201511232D 42 48 0 0 0 0 0 0 0 0999 V2000 2.2750 -4.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2750 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -5.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9125 -5.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9125 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -4.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0958 -5.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5667 -3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 -3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -4.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3583 -6.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -8.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -3.6167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6750 -2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 -2.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9583 -2.6250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9583 -3.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1292 -4.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7792 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -5.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -5.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -6.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 -2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.1792 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 1 7 1 1 0 0 0 3 7 1 1 0 0 0 6 8 1 1 0 0 0 6 9 1 6 0 0 0 1 10 1 0 0 0 0 7 11 1 1 0 0 0 7 12 1 1 0 0 0 8 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 22 10 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 24 29 1 1 0 0 0 27 30 1 6 0 0 0 25 31 1 6 0 0 0 4 32 1 1 0 0 0 12 32 1 0 0 0 0 4 33 1 6 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 36 1 0 0 0 0 M END > CFN99536 > Benzoylpaeoniflorin > 38642-49-8 > 98% > C30H32O12 > 584.57 > White cryst. > Monoterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Benzoylpaeoniflorin-CFN99536.html $$$$ -ISIS- 10201511232D 34 39 0 0 0 0 0 0 0 0999 V2000 2.2750 -4.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2750 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -5.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9125 -5.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9125 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -4.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0958 -5.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5667 -3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 -3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -4.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3583 -6.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -8.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -3.6167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6750 -2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 -2.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9583 -2.6250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9583 -3.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1292 -4.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7792 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -5.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9167 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -5.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -6.4125 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 1 7 1 1 0 0 0 3 7 1 1 0 0 0 6 8 1 1 0 0 0 6 9 1 6 0 0 0 1 10 1 0 0 0 0 7 11 1 1 0 0 0 7 12 1 1 0 0 0 8 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 22 10 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 24 29 1 1 0 0 0 27 30 1 6 0 0 0 25 31 1 6 0 0 0 29 32 1 0 0 0 0 4 33 1 1 0 0 0 12 33 1 0 0 0 0 4 34 1 6 0 0 0 M END > CFN99544 > Paeoniflorin > 23180-57-6 > 98% > C23H28O11 > 480.45 > White powder > Monoterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Paeoniflorin-CFN99544.html $$$$ -ISIS- 10201511232D 35 40 0 0 0 0 0 0 0 0999 V2000 2.2750 -4.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2750 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -5.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9125 -5.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9125 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -4.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0958 -5.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5667 -3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 -3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -4.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3583 -6.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -8.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -3.6167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6750 -2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 -2.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9583 -2.6250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9583 -3.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1292 -4.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7792 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -5.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9167 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -5.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -6.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -8.2542 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 1 7 1 1 0 0 0 3 7 1 1 0 0 0 6 8 1 1 0 0 0 6 9 1 6 0 0 0 1 10 1 0 0 0 0 7 11 1 1 0 0 0 7 12 1 1 0 0 0 8 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 22 10 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 24 29 1 1 0 0 0 27 30 1 6 0 0 0 25 31 1 6 0 0 0 29 32 1 0 0 0 0 4 33 1 1 0 0 0 12 33 1 0 0 0 0 4 34 1 6 0 0 0 19 35 1 0 0 0 0 M END > CFN99589 > Oxypaeoniflorin > 39011-91-1 > 98% > C23H28O12 > 496.46 > White cryst. > Monoterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Oxypaeoniflorin-CFN99589.html $$$$ -ISIS- 10201511232D 43 49 0 0 0 0 0 0 0 0999 V2000 6.6000 -6.7792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6000 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -8.1958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2375 -7.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2375 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -6.3083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4208 -7.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8917 -5.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -6.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -8.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2958 -6.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6833 -8.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -10.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -9.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -9.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -10.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -10.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -10.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -5.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 -4.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -4.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3667 -4.8458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3667 -5.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1958 -6.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5458 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -7.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -8.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -10.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -3.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -4.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7458 -2.1250 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 1 7 1 1 0 0 0 3 7 1 1 0 0 0 6 8 1 1 0 0 0 6 9 1 6 0 0 0 1 10 1 0 0 0 0 7 11 1 1 0 0 0 7 12 1 1 0 0 0 8 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 22 10 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 24 29 1 1 0 0 0 27 30 1 6 0 0 0 25 31 1 6 0 0 0 4 32 1 1 0 0 0 12 32 1 0 0 0 0 4 33 1 6 0 0 0 19 34 1 0 0 0 0 29 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 37 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 37 1 0 0 0 0 M END > CFN90662 > Benzoyloxypeoniflorin > 72896-40-3 > 98% > C30H32O13 > 600.57 > Powder > Monoterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Benzoyloxypeoniflorin-CFN90662.html $$$$ -ISIS- 10201511232D 43 49 0 0 0 0 0 0 0 0999 V2000 6.6000 -6.7792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6000 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -8.1958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2375 -7.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2375 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -6.3083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4208 -7.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8917 -5.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -6.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -8.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2958 -6.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6833 -8.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -10.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -9.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -9.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -10.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -10.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -10.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -5.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 -4.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -4.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3667 -4.8458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3667 -5.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1958 -6.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5458 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -7.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -7.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -8.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -3.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -4.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7458 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 -1.8042 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 1 7 1 1 0 0 0 3 7 1 1 0 0 0 6 8 1 1 0 0 0 6 9 1 6 0 0 0 1 10 1 0 0 0 0 7 11 1 1 0 0 0 7 12 1 1 0 0 0 8 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 22 10 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 24 29 1 1 0 0 0 27 30 1 6 0 0 0 25 31 1 6 0 0 0 4 32 1 1 0 0 0 12 32 1 0 0 0 0 4 33 1 6 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 36 1 0 0 0 0 40 43 1 0 0 0 0 M END > CFN90661 > Mudanpioside C > 172760-03-1 > 98% > C30H32O13 > 600.57¡¶Chinese Trad > Powder > Monoterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Mudanpioside-C-CFN90661.html $$$$ -ISIS- 10201511232D 34 38 0 0 0 0 0 0 0 0999 V2000 2.2750 -4.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2750 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -5.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9125 -5.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9125 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -4.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0958 -5.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5667 -3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 -3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -5.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 -6.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -8.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -8.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -3.6167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6750 -2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 -2.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9583 -2.6250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9583 -3.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1292 -4.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7792 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -5.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9167 -0.7667 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 1 7 1 1 0 0 0 3 7 1 1 0 0 0 6 8 1 1 0 0 0 6 9 1 6 0 0 0 4 10 1 1 0 0 0 1 11 1 0 0 0 0 7 12 1 1 0 0 0 7 13 1 1 0 0 0 8 13 1 1 0 0 0 13 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 24 11 1 1 0 0 0 24 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 29 1 0 0 0 0 29 24 1 0 0 0 0 28 30 1 1 0 0 0 26 31 1 1 0 0 0 29 32 1 6 0 0 0 27 33 1 6 0 0 0 31 34 1 0 0 0 0 M END > CFN99774 > Albiflorin > 39011-90-0 > 98% > C23H28O11 > 480.46 > White powder > Monoterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Albiflorin-CFN99774.html $$$$ -ISIS- 10201511232D 23 26 0 0 0 0 0 0 0 0999 V2000 4.3333 -7.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3333 -8.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -9.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9458 -8.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -7.4208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9458 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -8.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -6.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -6.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6417 -7.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -8.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3208 -8.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -9.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -8.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 1 6 0 0 0 1 8 1 6 0 0 0 6 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 1 11 1 1 0 0 0 12 3 1 1 0 0 0 12 10 1 0 0 0 0 12 13 1 1 0 0 0 4 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 17 1 0 0 0 0 M END > CFN96022 > Paeoniflorigenone > 80454-42-8 > 98% > C17H18O6 > 318.3 > Powder > Monoterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Paeoniflorigenone-CFN96022.html $$$$ -ISIS- 10201511232D 16 17 0 0 0 0 0 0 0 0999 V2000 2.3625 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -8.1708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1583 -8.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -8.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9583 -7.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1583 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -6.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -9.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -8.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -7.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -6.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -8.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -8.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 1 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 5 1 0 0 0 0 11 12 2 0 0 0 0 10 13 2 0 0 0 0 1 14 2 0 0 0 0 2 15 1 1 0 0 0 2 16 1 6 0 0 0 M END > CFN96055 > Paeonilactone B > 98751-78-1 > 98% > C10H12O4 > 196.2 > Powder > Monoterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Paeonilactone-B-CFN96055.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 3.7875 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -9.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5833 -9.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 -9.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3833 -8.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5833 -7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 -7.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 -10.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -9.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -7.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5458 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -8.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -7.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -9.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2375 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6958 -6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2375 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -5.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 1 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 5 1 0 0 0 0 11 12 1 1 0 0 0 10 13 2 0 0 0 0 1 14 2 0 0 0 0 2 15 1 1 0 0 0 2 16 1 6 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 18 25 2 0 0 0 0 M END > CFN96056 > Paeonilactone C > 98751-77-0 > 98% > C17H18O6 > 318.3 > Powder > Monoterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Paeonilactone-C-CFN96056.html $$$$ -ISIS- 10201511232D 16 17 0 0 0 0 0 0 0 0999 V2000 2.3625 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -8.1708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1583 -8.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -8.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9583 -7.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1583 -6.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -6.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -9.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -8.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -6.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1208 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -7.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -6.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -8.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -8.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 1 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 5 1 0 0 0 0 11 12 1 1 0 0 0 10 13 2 0 0 0 0 1 14 2 0 0 0 0 2 15 1 1 0 0 0 2 16 1 6 0 0 0 M END > CFN96059 > Paeonilactone A > 98751-79-2 > 98% > C10H14O4 > 198.2 > Powder > Monoterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Paeonilactone-A-CFN96059.html $$$$