CDK 1028232203 31 34 0 0 0 0 0 0 0 0999 V2000 4.2343 1.9047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6867 2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2742 3.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6867 3.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 3.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 3.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2742 4.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7492 3.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 0.9920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9242 4.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6867 0.9920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7492 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2742 0.2775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2949 1.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6867 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 0.2775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4492 1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0367 0.9920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8972 -0.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7848 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 0.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 2 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 11 7 1 6 0 0 0 8 12 1 0 0 0 0 11 13 1 0 0 0 0 14 11 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 17 14 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 1 0 0 0 16 20 1 0 0 0 0 21 17 1 0 0 0 0 18 22 1 0 0 0 0 23 21 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 1 0 0 0 23 26 1 1 0 0 0 27 24 1 0 0 0 0 27 28 1 1 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 6 8 1 0 0 0 0 17 20 1 1 0 0 0 22 23 1 0 0 0 0 26 27 1 0 0 0 0 M END > CHEBI:200809 > Subglutinol A > 2 > 3-[[(2S,3aS,5aR,6R,9aR,9bS)-5a,9b-dimethyl-7-methylidene-2-(2-methylprop-1-enyl)-2,3a,4,5,6,8,9,9a-octahydro-1H-benzo[e][1]benzouran-6-yl]methyl]-4-hydroxy-5,6-dimethylpyran-2-one > C27H38O4 > 426.597 > 426.27701 > 0 > O=C1OC(=C(C)C(=C1C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@@H](C=C(C)C)O4)C)C)O)C > InChI=1S/C27H38O4/c1-15(2)12-19-14-27(7)22-9-8-16(3)21(26(22,6)11-10-23(27)31-19)13-20-24(28)17(4)18(5)30-25(20)29/h12,19,21-23,28H,3,8-11,13-14H2,1-2,4-7H3/t19-,21-,22-,23+,26-,27+/m1/s1 > SXNPXUJAUIINIU-JTLRLOPKSA-N $$$$