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CHEBI:63184 - 11-oxo-β-amyrin

ChEBI IDCHEBI:63184
ChEBI Name11-oxo-β-amyrin
Stars
ASCII Name11-oxo-beta-amyrin
DefinitionThe pentacyclic triterpenoid that is the 11-oxo derivative of β-amyrin.
Last Modified6 December 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILES[H][C@]12C(=O)C=C3[C@]4([H])CC(C)(C)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/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20,22-24,32H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29+,30+/m0/s1
InChIKeyUKAIYBGRLWQHDQ-KWRVYEIKSA-N
ChEBI Ontology
Outgoing Relation(s)
11-oxo-β-amyrin (CHEBI:63184) has functional parent β-amyrin (CHEBI:10352)
11-oxo-β-amyrin (CHEBI:63184) is a cyclic terpene ketone (CHEBI:36130)
11-oxo-β-amyrin (CHEBI:63184) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
3β-hydroxyolean-12-en-11-one
UniProt Name  Source
11-oxo-β-amyrinUniProt
Citations