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CHEBI:86655 - homoveratric acid

Default Structure
ChEBI IDCHEBI:86655
ChEBI Namehomoveratric acid
Stars
DefinitionA phenylacetic acid substituted at positions 3 and 4 by methoxy groups.
Last Modified20 August 2019
DownloadsMolfile
FormulaC10H12O4
Net Charge0
Average Mass196.202
Monoisotopic Mass196.07356
SMILESCOc1ccc(CC(=O)O)cc1OC
InChIInChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyWUAXWQRULBZETB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (19812218)
blood plasma (BTO_0000131) PubMed (19812218)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
homoveratric acid (CHEBI:86655) has role human urinary metabolite (CHEBI:84087)
homoveratric acid (CHEBI:86655) has role human xenobiotic metabolite (CHEBI:76967)
homoveratric acid (CHEBI:86655) is a dimethoxybenzene (CHEBI:51681)
homoveratric acid (CHEBI:86655) is a phenylacetic acids (CHEBI:25978)
IUPAC Name 
(3,4-dimethoxyphenyl)acetic acid
Synonyms  Source
2-(3,4-dimethoxyphenyl)acetic acidChEBI
2-(3,4-dimethoxyphenyl)ethanoic acidChEBI
3,4-dimethoxybenzeneacetic acidHMDB
3,4-dimethoxyphenylacetic acidHMDB
homoveratrumic acidChEBI
Manual XrefsDatabases
6872ChemSpider
FDB000317FooDB
HMDB0000434HMDB
Registry NumbersSources
Reaxys:1110282Reaxys
CAS:93-40-3NIST Chemistry WebBook
CAS:93-40-3ChemIDplus
Citations