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CHEBI:67718 - Kibalaurifenone

ChEBI IDCHEBI:67718
ChEBI NameKibalaurifenone
Stars
DefinitionA natural product found in Kibatalia laurifolia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H26O3
Net Charge0
Average Mass326.436
Monoisotopic Mass326.18819
SMILES[H][C@@]12CC[C@]3([H])[C@H](C)OC(=O)[C@]13CC[C@@]1([H])[C@@]2([H])C(=O)C=C2C=CCC[C@@]21C
InChIInChI=1S/C21H26O3/c1-12-14-6-7-16-18-15(8-10-21(14,16)19(23)24-12)20(2)9-4-3-5-13(20)11-17(18)22/h3,5,11-12,14-16,18H,4,6-10H2,1-2H3/t12-,14+,15-,16-,18+,20-,21-/m0/s1
InChIKeyFVIRPNCHURITSK-AUEZAFRDSA-N
Species of MetaboliteComponentSourceComments
Kibatalia laurifolia (IPNI:79456-1) leaf (BTO:0000713) PubMed (21443172) Dried, ground leaves were alkalized with NH4OH & extracted successively with n-hexane, CH2Cl2 & MeOH
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)
Kibalaurifenone (CHEBI:67718) has role metabolite (CHEBI:25212)
Kibalaurifenone (CHEBI:67718) is a steroid lactone (CHEBI:26766)
Synonym  Source
pregn-3,5-diene-7-one-18,20-lactoneChEBI
Citations