6446653 CDK 0425242202 29 32 0 0 0 0 0 0 0 0999 V2000 4.0779 0.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6231 3.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6722 -3.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4347 -2.6182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1725 0.6523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1725 -0.1728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3879 0.9072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3879 -0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9029 0.2398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9532 0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9532 -0.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4347 0.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2597 0.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 1.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 2.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0710 2.6480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0091 3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2021 3.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 2.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6722 -0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 3.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2597 -1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4972 -0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6722 -1.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9097 -1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4972 -1.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2597 -2.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 17 2 1 6 0 0 0 3 29 1 0 0 0 0 4 29 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 1 0 0 0 6 8 1 1 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 6 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 22 1 0 0 0 0 15 17 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 M END > CHEBI:231204 > CG 4305 > 2 > 3-[(E)-[(3aS,4R,5R,6aS)-4-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]methyl]benzoic acid > C25H32O4 > 396.527 > 396.23006 > 0 > O[C@H]1[C@@H]([C@@H]2[C@H](C1)C\C(\C2)=C/C3=CC(=CC=C3)C(O)=O)/C=C/[C@@H](O)C4CCCCC4 > InChI=1S/C25H32O4/c26-23(18-6-2-1-3-7-18)10-9-21-22-14-17(13-20(22)15-24(21)27)11-16-5-4-8-19(12-16)25(28)29/h4-5,8-12,18,20-24,26-27H,1-3,6-7,13-15H2,(H,28,29)/b10-9+,17-11+/t20-,21+,22-,23+,24+/m0/s1 > OINUMRGCICIETD-CGKNXJIZSA-N $$$$