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CHEBI:30853 - glycyrrhetinic acid

ChEBI IDCHEBI:30853
ChEBI Nameglycyrrhetinic acid
Stars
DefinitionA pentacyclic triterpenoid that is olean-12-ene substituted by a hydroxy group at position 3, an oxo group at position 11 and a carboxy group at position 30.
Secondary ChEBI IDsCHEBI:5507, CHEBI:24417
Last Modified16 February 2022
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILES[H][C@]12C(=O)C=C3[C@]4([H])C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
InChIKeyMPDGHEJMBKOTSU-YKLVYJNSSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
3β-hydroxy-11-oxoolean-12-en-30-oic acid
Synonyms  Source
Glycyrrhetinic acidKEGG COMPOUND
EnoxoloneKEGG COMPOUND
18β-glycyrrhetic acidChemIDplus
Manual XrefsDatabases
C02283KEGG COMPOUND
Glycyrrhetinic_acidWikipedia
CBWPDBeChem
D00156KEGG DRUG
C00003521KNApSAcK
3178DrugCentral
Registry NumbersSources
Reaxys:2229654Reaxys
CAS:471-53-4ChemIDplus
CAS:1449-05-4KEGG COMPOUND
CAS:471-53-4KEGG COMPOUND
Citations