**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

soyasapogenol B 3-O-beta-D-glucuronate

Properties Image with InChI numbering Occurences in reactions MNX_ID MNXM2728 #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 1 formula C36H57O9 charge -1 mass 633.843 reference chebi:62441 InChIKey NARQRJFIZNOSJV-JIHAXZPOSA-M InChI InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)/p-1/t20-,21+,22+,23+,24-,25-,26-,27+,28-,30+,32+,33-,34+,35+,36+/m0/s1 SMILES [CH3:1][C:31]1([CH3:2])[CH2:16][C@H:20]2[C:19]3=[CH:8][CH2:9][C@@H:22]4[C@@:33]5([CH3:4])[CH2:12][CH2:11][C@H:24]([O:44][C@H:30]6[C@H:27]([OH:41])[C@@H:25]([OH:39])[C@H:26]([OH:40])[C@@H:28]([C:29](=[O:42])[OH:43])[O:45]6)[C@:34]([CH3:5])([CH2:18][OH:37])[C@@H:21]5[CH2:10][CH2:13][C@@:36]4([CH3:7])[C@:35]3([CH3:6])[CH2:15][CH2:14][C@@:32]2([CH3:3])[C@H:23]([OH:38])[CH2:17]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources

Identifier	Description
CHEBI:62441 chebi:62441	soyasapogenol B 3-O-beta-D-glucuronate (3beta,22beta)-22,24-dihydroxyolean-12-en-3-yl beta-D-glucopyranosiduronate soyasapogenol B 3-O-beta-glucuronate soyasapogenol B 3-O-beta-glucuronide(1-)
seed.compound:cpd21009 seedM:cpd21009 kegg.compound:C19763 keggC:C19763	Soyasapogenol B 3-O-D-glucuronide Soyasapogenol B 3-O-beta-D-glucuronide
hmdb:HMDB0039329	Soyasapogenol B 3-O-b-D-glucuronide 3,4,5-Trihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylate 3,4,5-trihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylic acid 3,4,5-trihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}oxane-2-carboxylic acid
CHEBI:176267 chebi:176267	Soyasapogenol B 3-O-b-D-glucuronide 3,4,5-trihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid
CHEBI:62439 chebi:62439	soyasapogenol B 3-O-beta-glucuronide soyasapogenol B monoglucuronide soyasapogenol B-3-O-beta-glucuronide soyasapogenol B-3-O-glucuronide
metacyc.compound:CPD-7612 metacycM:CPD-7612 seed.compound:cpd24802 seedM:cpd24802	soyasapogenol B-3-O-beta-glucuronide
hmdb:HMDB39329 keggC:M_C19763 seedM:M_cpd21009 seedM:M_cpd24802	secondary/obsolete/fantasy identifier