-ISIS- 05031710462D 55 57 0 0 0 0 0 0 0 0999 V2000 5.5167 -5.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5167 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -7.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0917 -6.8708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0917 -5.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3042 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -5.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8792 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4500 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 -4.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6625 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2375 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 -6.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0250 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2375 -6.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -5.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -5.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1583 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3708 -5.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3708 -6.8708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1583 -7.3208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9458 -6.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -8.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -7.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -4.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -5.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -8.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -3.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -4.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8042 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -5.9625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3417 -5.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -6.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 -6.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5833 -8.2333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5833 -9.1417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4875 -8.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -8.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -6.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -5.5167 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.5542 -9.9792 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 5.8500 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -7.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -8.8917 0.0000 K 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -8.1083 0.0000 O 0 0 0 0 0 0 0 0 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 6 0 0 0 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 12 15 1 0 0 0 0 9 16 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 6 0 0 0 5 19 1 6 0 0 0 1 20 1 1 0 0 0 21 20 1 6 0 0 0 21 22 1 0 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 21 1 0 0 0 0 25 27 1 6 0 0 0 24 28 1 1 0 0 0 22 29 1 1 0 0 0 23 30 1 6 0 0 0 27 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 30 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 28 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 42 45 2 0 0 0 0 10 46 1 1 0 0 0 3 49 1 1 0 0 0 3 53 1 6 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 51 52 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 53 54 2 0 0 0 0 53 55 1 0 0 0 0 G 49 3 COOK G 53 3 COOH M CHG 4 41 -1 43 -1 47 1 48 1 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 49 50 51 52 M SBL 1 1 45 M SMT 1 COOK M SBV 1 45 0.4500 0.7800 M SAL 2 3 53 54 55 M SBL 2 1 46 M SMT 2 COOH M SBV 2 46 -0.4500 0.7800 M END > CFN90756 > Carboxyatractyloside > 77228-71-8 > 98% > C31H43K3O18S2 > 885.1 > Powder > Diterpenoids > Pyridine, Methanol, Ethanol, DMSO, etc > http://www.chemfaces.com/natural/Carboxyatractyloside-CFN90756.html $$$$