CHEBI:70818 - isohomovanillic acid

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ChEBI Name isohomovanillic acid
Definition A member of the class of phenylacetic acids that is the 4-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H10O4
Net Charge 0
Average Mass 182.17330
Monoisotopic Mass 182.05791
InChI InChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)
SMILES COc1ccc(CC(O)=O)cc1O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing isohomovanillic acid (CHEBI:70818) has functional parent (3,4-dihydroxyphenyl)acetic acid (CHEBI:41941)
isohomovanillic acid (CHEBI:70818) has role metabolite (CHEBI:25212)
isohomovanillic acid (CHEBI:70818) is a aromatic ether (CHEBI:35618)
isohomovanillic acid (CHEBI:70818) is a phenols (CHEBI:33853)
isohomovanillic acid (CHEBI:70818) is a phenylacetic acids (CHEBI:25978)
(3-hydroxy-4-methoxyphenyl)acetic acid
Synonym Source
Homoisovanillic acid HMDB
Manual Xref Database
HMDB0000333 HMDB
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Registry Numbers Types Sources
1131-94-8 CAS Registry Number ChemIDplus
1244106 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22770225 PubMed citation Europe PMC
621233 PubMed citation Europe PMC
Last Modified
23 December 2018