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CHEBI:133744 - homovanillate

ChEBI IDCHEBI:133744
ChEBI Namehomovanillate
Stars
DefinitionA hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.
Last Modified11 May 2017
Submitterjjtluanloet
DownloadsMolfile
FormulaC9H9O4
Net Charge-1
Average Mass181.167
Monoisotopic Mass181.05063
SMILESCOc1cc(CC(=O)[O-])ccc1O
InChIInChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/p-1
InChIKeyQRMZSPFSDQBLIX-UHFFFAOYSA-M
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
homovanillate (CHEBI:133744) has role human metabolite (CHEBI:77746)
homovanillate (CHEBI:133744) has role mouse metabolite (CHEBI:75771)
homovanillate (CHEBI:133744) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
homovanillate (CHEBI:133744) is conjugate base of homovanillic acid (CHEBI:545959)
Incoming Relation(s)
homovanillic acid (CHEBI:545959) is conjugate acid of homovanillate (CHEBI:133744)
IUPAC Name 
(4-hydroxy-3-methoxyphenyl)acetate
Synonym  Source
3-methoxy-4-hydroxyphenylacetateChEBI