CHEBI:67899 - isoacetovanillone

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ChEBI Name isoacetovanillone
ChEBI ID CHEBI:67899
Definition A natural product found in Rhododendron ferrugineum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C9H10O3
Net Charge 0
Average Mass 166.17390
Monoisotopic Mass 166.06299
InChI InChI=1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3
InChIKey YLTGFGDODHXMFB-UHFFFAOYSA-N
SMILES COc1ccc(cc1O)C(C)=O
Metabolite of Species Details
Rhododendron ferrugineum (NCBI:txid49622) Found in leaf (BTO:0000713). MeOH extract of CHCl3 soluble fraction of air-dried, powdered leaves 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 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 Sources
1-(3-Hydroxy-4-methoxyphenyl)ethanone ChEBI
3-Hydroxy-4-methoxyacetophenone ChEBI
Citation Waiting for Citations Type Source
21443171 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:acetophenones(CHEBI:22187); ISA:aromatic ketone(CHEBI:76224); ISA:methoxybenzene(CHEBI:51683); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:organonitrogen compound(CHEBI:35352); ISA:organic heterocyclic compound(CHEBI:24532); ISA:aromatic alcohol(CHEBI:33854);