3010929 CDK 1019211303 33 37 0 0 0 0 0 0 0 0999 V2000 2.0084 -2.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0775 0.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4007 -0.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5941 -0.8245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9081 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1874 -0.8299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2800 -0.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1810 -1.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6068 -1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2800 0.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8955 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 -2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9881 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9881 -0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 -0.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7056 0.3801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1032 -1.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7056 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 -1.6606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5941 0.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7025 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5509 -1.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9682 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 0.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7056 2.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 -2.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8387 -2.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 1.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3946 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0937 2.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3017 2.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 1 0 0 0 2 31 1 0 0 0 0 3 31 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 18 1 1 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 22 1 1 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 24 1 6 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 21 2 0 0 0 0 12 20 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 21 1 0 0 0 0 15 19 1 0 0 0 0 16 23 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 17 31 1 1 0 0 0 20 23 1 0 0 0 0 25 27 1 0 0 0 0 26 30 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 27 33 1 0 0 0 0 M END > CHEBI:181619 > (4As,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid > 2 > (4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid > C30H48O3 > 456.711 > 456.36035 > 0 > O[C@@H]1C(C2[C@@](C3[C@]([C@]4(C(C5[C@@](CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(C)C > InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20?,21?,22?,23-,27-,28+,29+,30-/m0/s1 > MIJYXULNPSFWEK-FQRDBSNUSA-N $$$$