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soyasapogenol B 3-O-beta-D-glucuronate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2728

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₃₆H₅₇O₉

charge

-1

mass

633.40081

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

CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)C1

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
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
keggC:M_C19763 seedM:M_cpd21009 seedM:M_cpd24802	secondary/obsolete/fantasy identifier