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CHEBI:70042 - Carijodienone

ChEBI IDCHEBI:70042
ChEBI NameCarijodienone
Stars
DefinitionA natural product found in Carijoa multiflora.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H28O
Net Charge0
Average Mass296.454
Monoisotopic Mass296.21402
SMILES[H][C@@]12CC[C@@]3(C=CC(=O)C=C3C)[C@@]1([H])CC[C@]1(C)[C@@H](C=C)CC[C@@]21[H]
InChIInChI=1S/C21H28O/c1-4-15-5-6-18-17-8-12-21(11-7-16(22)13-14(21)2)19(17)9-10-20(15,18)3/h4,7,11,13,15,17-19H,1,5-6,8-10,12H2,2-3H3/t15-,17-,18-,19-,20+,21+/m0/s1
InChIKeyWBURTZSEYTVSRX-OPJRWSFGSA-N
Species of MetaboliteComponentSourceComments
Carijoa (ncbitaxon:360971) - PubMed (21235217) Acetone extract of fresh sample
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)
Carijodienone (CHEBI:70042) has role metabolite (CHEBI:25212)
Carijodienone (CHEBI:70042) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
(5R)-5,9-Cyclo-9,10-secopregna-1(10),3,20-trien-2-oneChEBI
Citations