Bipindogulomethyloside

Properties Image MNX_ID MNXM119799 reference chebi:176017 formula C29H44O10 global charge 0 mol weight 552.661 InChIKey WRORFDCUNLGVJF-UHFFFAOYSA-N InChI InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3 SMILES CC1OC(OC2CCC3(C)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3/t14?,16?,17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29? SMILES (mnx) [CH3:1][CH:14]1[CH:22]([OH:32])[CH:23]([OH:33])[CH:24]([OH:34])[CH:25]([O:39][CH:16]2[CH2:4][CH2:7][C:26]3([CH3:2])[CH:21]4[CH:18]([CH2:5][CH2:8][C:28]3([OH:35])[CH2:11]2)[C:29]2([OH:36])[CH2:9][CH2:6][CH:17]([C:15]3=[CH:10][C:20](=[O:31])[O:37][CH2:13]3)[C:27]2([CH3:3])[CH2:12][CH:19]4[OH:30])[O:38]1

Parent-child relations graph

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