21603477 CDK 0602212313 39 42 0 0 0 0 0 0 0 0999 V2000 3.0789 -3.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6287 1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9234 0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9123 2.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 -1.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5282 -0.5870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5282 -1.4120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3088 -0.3356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3486 -1.8302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8138 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -2.6895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0993 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3088 -1.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8138 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7904 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 -0.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8270 -2.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0861 -3.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5839 -1.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5282 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5282 -2.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5651 0.4486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7950 -2.6954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8019 -1.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3549 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 -3.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9855 -3.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0142 1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3724 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2705 1.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7195 2.4608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3661 -2.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9758 3.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4248 3.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7830 3.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0016 -0.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3446 -3.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24 1 1 6 0 0 0 1 33 1 0 0 0 0 2 30 1 0 0 0 0 3 30 2 0 0 0 0 32 4 1 1 0 0 0 5 33 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 21 1 1 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 6 0 0 0 8 15 1 0 0 0 0 8 23 1 0 0 0 0 8 38 1 6 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 9 26 1 1 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 39 1 6 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 17 24 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 20 25 1 0 0 0 0 23 29 1 1 0 0 0 23 30 1 0 0 0 0 24 25 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 2 0 0 0 0 M END > CHEBI:175903 > Tsugaric acid C > 2 > (2R,5R)-2-[(3R,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-6-methylhept-6-enoic acid > C32H50O5 > 514.747 > 514.36582 > 0 > O([C@H]1C([C@]2([C@@](C3=C([C@]4([C@@]([C@](CC4)([C@@H](CC[C@@H](O)C(C)=C)C(O)=O)[H])(CC3)C)C)CC2)(CC1)C)[H])(C)C)C(=O)C > InChI=1S/C32H50O5/c1-19(2)25(34)11-9-21(28(35)36)22-13-17-32(8)24-10-12-26-29(4,5)27(37-20(3)33)15-16-30(26,6)23(24)14-18-31(22,32)7/h21-22,25-27,34H,1,9-18H2,2-8H3,(H,35,36)/t21-,22-,25-,26+,27-,30-,31-,32+/m1/s1 > IPHISYDAYNYHSC-GAZLMKCGSA-N $$$$