OntologiesslmclassesCHEBI:545959   
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homovanillic acidImported
http://purl.obolibrary.org/obo/CHEBI_545959

A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite.

Defined bychebi
Also appears inpridezpefofobiupheno + 1
Exact Synonyms
2-(4-hydroxy-3-methoxyphenyl)acetic acid
Homovanillic acid
Related Synonyms
(4-hydroxy-3-methoxyphenyl)acetic acid
3-Methoxy-4-hydroxyphenylacetate
3-Methoxy-4-hydroxyphenylacetic acid
4-Hydroxy-3-methoxybenzeneacetic acid
HVA
Vanillacetic acid
class Information
charge

0

formula

C9H10O4

has_alternative_id

CHEBI_5758chebi

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)

inchikey

QRMZSPFSDQBLIX-UHFFFAOYSA-N

in_subset

3_STAR

mass

182.17330

monoisotopicmass

182.05791

smiles

COc1cc(CC(O)=O)ccc1O

class Relations