CDK 1030232201 21 23 0 0 0 0 0 0 0 0999 V2000 3.8387 -1.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0937 -1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9006 -0.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7966 0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2445 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -0.0769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3222 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.7077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4417 -0.4734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3699 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 -1.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8855 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8244 0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0786 1.1493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4986 1.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 2.1277 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 0.5265 1.7623 0.0000 O 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 6 4 1 0 0 0 0 5 7 1 0 0 0 0 8 6 1 0 0 0 0 6 9 1 6 0 0 0 10 7 1 6 0 0 0 11 8 1 0 0 0 0 8 12 1 1 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 6 0 0 0 12 16 1 0 0 0 0 17 14 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 17 21 1 6 0 0 0 8 10 1 0 0 0 0 11 13 1 0 0 0 0 16 17 1 0 0 0 0 M END > CHEBI:214632 > Gymnodrimane B > 2 > (1S,3aR,6aS,8S,10aR)-8-hydroxy-1-methoxy-7,7-dimethyl-1,3,3a,6,6a,8,9,10-octahydrobenzo[d][2]benzouran-4-carboxylic acid > C16H24O5 > 296.363 > 296.16237 > 0 > O=C(O)C1=CC[C@H]2C([C@@H](O)CC[C@@]32[C@H]1CO[C@@H]3OC)(C)C > InChI=1S/C16H24O5/c1-15(2)11-5-4-9(13(18)19)10-8-21-14(20-3)16(10,11)7-6-12(15)17/h4,10-12,14,17H,5-8H2,1-3H3,(H,18,19)/t10-,11-,12-,14-,16-/m0/s1 > VNSNUUUFNWTZOA-HNRKBYSSSA-N $$$$