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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:67899 - isoacetovanillone
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ChEBI Ontology
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ChEBI Name
isoacetovanillone
ChEBI ID
CHEBI:67899
Definition
A natural product found in
Rhododendron ferrugineum
.
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This entity has been manually annotated by a third party.
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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
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);