CHEBI:67824 - betulone

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ChEBI Name betulone
ChEBI ID CHEBI:67824
Definition A natural product found in Cupania cinerea.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H48O2
Net Charge 0
Average Mass 440.70090
Monoisotopic Mass 440.36543
InChI InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1
InChIKey JYDNKGUBLIKNAM-CNRMHUMKSA-N
SMILES [H][C@]12CC[C@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(CO)CC[C@@H](C(C)=C)[C@]21[H]
Metabolite of Species Details
Cupania cinerea (NCBI:txid298314) Found in bark (BTO:0001301). Crude n-hexane extract of dried and powdered bark See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing betulone (CHEBI:67824) has parent hydride lupane (CHEBI:36485)
betulone (CHEBI:67824) has role metabolite (CHEBI:25212)
betulone (CHEBI:67824) is a triterpenoid (CHEBI:36615)
Citation Waiting for Citations Type Source
21438586 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:hydroxy steroid(CHEBI:35350); ISA:cyclohexanones(CHEBI:23482); ISA:primary alcohol(CHEBI:15734);