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CHEBI:67899 - isoacetovanillone

ChEBI IDCHEBI:67899
ChEBI Nameisoacetovanillone
Stars
DefinitionA natural product found in Rhododendron ferrugineum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC9H10O3
Net Charge0
Average Mass166.176
Monoisotopic Mass166.06299
SMILESCOc1ccc(C(C)=O)cc1O
InChIInChI=1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3
InChIKeyYLTGFGDODHXMFB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rhododendron ferrugineum (ncbitaxon:49622) leaf (BTO:0000713) PubMed (21443171) MeOH extract of CHCl3 soluble fraction of air-dried, powdered leaves
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)
isoacetovanillone (CHEBI:67899) has role metabolite (CHEBI:25212)
isoacetovanillone (CHEBI:67899) is a methoxybenzenes (CHEBI:51683)
isoacetovanillone (CHEBI:67899) is a phenols (CHEBI:33853)
Synonyms  Source
3-Hydroxy-4-methoxyacetophenoneChEBI
1-(3-Hydroxy-4-methoxyphenyl)ethanoneChEBI
Citations