EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67824 - betulone

Default Structure
ChEBI IDCHEBI:67824
ChEBI Namebetulone
Stars
DefinitionA natural product found in Cupania cinerea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(CO)CC[C@@H](C(=C)C)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=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
InChIKeyJYDNKGUBLIKNAM-CNRMHUMKSA-N
Species of MetaboliteComponentSourceComments
Cupania cinerea (ncbitaxon:298314) bark (BTO:0001301) PubMed (21438586) Crude n-hexane extract of dried and powdered bark
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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)
Citations