CHEBI:69015 - Malabaricone C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Malabaricone C
ChEBI ID CHEBI:69015
Definition A natural product found in Myristica cinnamomea.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H26O5
Net Charge 0
Average Mass 358.42810
Monoisotopic Mass 358.17802
InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2
InChIKey HCOZRFYGIFMIEX-UHFFFAOYSA-N
SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O
Metabolite of Species Details
Myristica cinnamomea (IPNI:586016-1) Found in bark (BTO:0001301). Methanolic extract of dried, 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 Malabaricone C (CHEBI:69015) has role metabolite (CHEBI:25212)
Malabaricone C (CHEBI:69015) is a butanone (CHEBI:22951)
Synonym Source
1-(2,6-Dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one ChEBI
Manual Xref Database
HMDB0005798 HMDB
View more database links
Registry Number Type Source
63335-25-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21910441 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:acetophenones(CHEBI:22187); ISA:catechols(CHEBI:33566); ISA:resorcinols(CHEBI:33572); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:enol(CHEBI:33823); ISA:enone(CHEBI:51689); ISA:enol ether(CHEBI:47985); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);