-ISIS- 05031710462D 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 $$$$