12303876 CDK 1202211636 38 43 0 0 0 0 0 0 0 0999 V2000 4.6162 -2.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1285 0.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2423 -1.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9203 2.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9023 0.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9023 2.3377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4969 -0.2564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2113 -0.6689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9258 -0.2564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8888 -0.8067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9258 0.5686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6633 1.0097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2230 -1.5556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0387 -1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4969 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2113 0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4109 0.5858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0783 -0.8947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6633 -0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4109 -0.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9102 -1.6925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7824 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6426 1.9046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1894 1.0274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9457 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4109 2.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1894 1.9225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5247 -0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8247 -2.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0713 -2.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4034 -2.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6500 -2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7781 -1.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9204 -0.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6016 -0.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 0.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5074 -2.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 21 1 1 1 0 0 0 17 2 1 6 0 0 0 3 21 1 0 0 0 0 3 31 1 0 0 0 0 23 4 1 6 0 0 0 24 5 1 6 0 0 0 27 6 1 6 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 22 1 6 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 34 1 1 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 9 35 1 6 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 10 36 1 1 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 37 1 1 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 12 25 1 6 0 0 0 13 14 1 0 0 0 0 13 38 1 1 0 0 0 15 16 1 0 0 0 0 17 20 1 0 0 0 0 17 24 1 0 0 0 0 18 21 1 0 0 0 0 18 28 1 1 0 0 0 19 20 1 0 0 0 0 21 29 1 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 26 27 1 0 0 0 0 29 30 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 6 0 0 0 M END > CHEBI:185340 > Convallagenin B > 2 > (1S,2S,4S,5'S,6R,7S,8R,9S,12S,13S,14R,16S,17S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16,17,18-tetrol > C27H44O6 > 464.643 > 464.31379 > 0 > O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@](O)(CC4)[C@@H](O)[C@@H](O)C[C@H]5O)C)(CC3)[H])[H])(C2)[H])C)([C@@H]([C@]16OC[C@H](CC6)C)C)[H])[H] > InChI=1S/C27H44O6/c1-14-5-10-27(32-13-14)15(2)22-20(33-27)11-18-16-6-9-26(31)23(30)19(28)12-21(29)25(26,4)17(16)7-8-24(18,22)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27+/m0/s1 > FLDVFDQHJBXYFP-PBVSVCIJSA-N > LMST01080035 $$$$