withalongolide J

Properties Image MNX_ID MNXM113941 reference chebi:69114 formula C34H52O11 global charge 0 mol weight 636.779 InChIKey JDYYLQIQTRWVFW-ILJUDCBVSA-N InChI InChI=1S/C34H52O11/c1-16-18(14-43-32-30(41)29(40)28(39)26(13-35)45-32)10-25(44-31(16)42)17(2)22-6-7-23-21-5-4-19-11-20(37)12-27(38)34(19,15-36)24(21)8-9-33(22,23)3/h4,17,20-30,32,35-41H,5-15H2,1-3H3/t17-,20+,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-/m0/s1 SMILES CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(CO)[C@H]4CC[C@]23C)OC1=O MNX internals InChI (mnx) InChI=1/C34H52O11/c1-16-18(14-43-32-30(41)29(40)28(39)26(13-35)45-32)10-25(44-31(16)42)17(2)22-6-7-23-21-5-4-19-11-20(37)12-27(38)34(19,15-36)24(21)8-9-33(22,23)3/h4,17,20-30,32,35-41H,5-15H2,1-3H3/t17-,20+,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-/m0/s1 SMILES (mnx) [CH3:1][C:16]1=[C:18]([CH2:14][O:43][C@H:32]2[C@H:30]([OH:41])[C@@H:29]([OH:40])[C@H:28]([OH:39])[C@@H:26]([CH2:13][OH:35])[O:45]2)[CH2:10][C@H:25]([C@@H:17]([CH3:2])[C@H:22]2[CH2:6][CH2:7][C@H:23]3[C@@H:21]4[CH2:5][CH:4]=[C:19]5[CH2:11][C@@H:20]([OH:37])[CH2:12][C@H:27]([OH:38])[C@:34]5([CH2:15][OH:36])[C@H:24]4[CH2:8][CH2:9][C@:33]23[CH3:3])[O:44][C:31]1=[O:42]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0