CHEBI:37658 - oleanolic acid 3-O-β-D-glucosiduronic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name oleanolic acid 3-O-β-D-glucosiduronic acid
ChEBI ID CHEBI:37658
ChEBI ASCII Name oleanolic acid 3-O-beta-D-glucosiduronic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7740, CHEBI:25662
Supplier Information
Download Molfile XML SDF
Formula C36H56O9
Net Charge 0
Average Mass 632.82444
Monoisotopic Mass 632.39243
InChI InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1
InChIKey IUCHKMAZAWJNBJ-RCYXVVTDSA-N
SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
ChEBI Ontology
Outgoing oleanolic acid 3-O-β-D-glucosiduronic acid (CHEBI:37658) has functional parent oleanolic acid (CHEBI:37659)
oleanolic acid 3-O-β-D-glucosiduronic acid (CHEBI:37658) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name
28-hydroxy-28-oxoolean-12-en-3β-yl β-D-glucopyranosiduronic acid
Synonyms Sources
3-O-(beta-D-Glucopyranuronosyl)oleanolic acid ChemIDplus
Calenduloside E ChemIDplus
Glycoside St-E ChemIDplus
Momordin Ib ChemIDplus
Oleanoic acid 3-O-glucuronide KEGG COMPOUND
oleanolic acid 3-O-glucuronide ChEBI
Polysciasaponin P7 ChemIDplus
Silphioside F ChemIDplus
Manual Xrefs Databases
C00003538 KNApSAcK
C08964 KEGG COMPOUND
View more database links
Registry Number Type Source
26020-14-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014