CHEBI:67718 - Kibalaurifenone

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ChEBI Name Kibalaurifenone
ChEBI ID CHEBI:67718
Definition A natural product found in Kibatalia laurifolia.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H26O3
Net Charge 0
Average Mass 326.42930
Monoisotopic Mass 326.18819
InChI InChI=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
InChIKey FVIRPNCHURITSK-AUEZAFRDSA-N
SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])C(=O)C=C5C=CCC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C
Metabolite of Species Details
Kibatalia laurifolia (IPNI:79456-1) Found in leaf (BTO:0000713). Dried, ground leaves were alkalized with NH4OH & extracted successively with n-hexane, CH2Cl2 & MeOH 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 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-lactone ChEBI
Citation Waiting for Citations Type Source
21443172 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:7-oxo steroid(CHEBI:47789); ISA:gamma-lactone(CHEBI:37581); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384);