CDK 1030232200 32 35 0 0 0 0 0 0 0 0999 V2000 9.0891 -4.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6041 -3.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9397 -2.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7837 -3.7919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4481 -4.5455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2987 -3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2686 -4.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9331 -5.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6276 -4.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 -3.2107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6343 -2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1427 -3.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9933 -2.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6578 -3.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1494 -1.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3289 -1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1729 -2.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 1 0 0 0 5 8 1 1 0 0 0 5 9 1 0 0 0 0 10 6 1 0 0 0 0 6 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 1 0 0 0 11 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 1 0 0 0 18 20 1 1 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 24 21 1 0 0 0 0 25 24 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 1 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 10 12 1 0 0 0 0 15 16 1 0 0 0 0 18 19 1 0 0 0 0 24 22 1 1 0 0 0 M END > CHEBI:207608 > Gloeophyllin L > 2 > (3S,4S,6bR,9R,10aR,11bS)-3-hydroxy-4,11b-dimethyl-9-[(2R)-6-methylhept-5-en-2-yl]-10-methylidene-1,2,3,4a,5,6,6b,7,8,9,10a,11-dodecahydrobenzo[a]luorene-4-carboxylic acid > C29H44O3 > 440.668 > 440.32905 > 0 > O=C(O)[C@@]1([C@@H](O)CC[C@]2(C1CCC3=C2C[C@H]4C(=C)[C@@H]([C@@H](CCC=C(C)C)C)CC[C@@H]34)C)C > InChI=1S/C29H44O3/c1-17(2)8-7-9-18(3)20-10-11-21-22-12-13-25-28(5,24(22)16-23(21)19(20)4)15-14-26(30)29(25,6)27(31)32/h8,18,20-21,23,25-26,30H,4,7,9-16H2,1-3,5-6H3,(H,31,32)/t18-,20-,21+,23+,25?,26+,28-,29+/m1/s1 > YUEXLVNRFHBHKG-SPIXXTTNSA-N $$$$