CHEBI:133744 - homovanillate

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ChEBI Name homovanillate ChEBI ID CHEBI:133744 Definition A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H9O4 Net Charge -1 Average Mass 181.166 Monoisotopic Mass 181.05063 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)/p-1 InChIKey QRMZSPFSDQBLIX-UHFFFAOYSA-M SMILES C1=C(C(=CC(=C1)CC([O-])=O)OC)O Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 homovanillic acid (CHEBI:545959) is conjugate acid of homovanillate (CHEBI:133744) IUPAC Name (4-hydroxy-3-methoxyphenyl)acetate Synonym Source 3-methoxy-4-hydroxyphenylacetate ChEBI Last Modified 11 May 2017