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CHEBI:70818 - isohomovanillic acid

ChEBI IDCHEBI:70818
ChEBI Nameisohomovanillic acid
Stars
DefinitionA member of the class of phenylacetic acids that is the 4-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid.
Last Modified23 December 2018
Submittermwilliams
DownloadsMolfile
FormulaC9H10O4
Net Charge0
Average Mass182.175
Monoisotopic Mass182.05791
SMILESCOc1ccc(CC(=O)O)cc1O
InChIInChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyBWXLCOBSWMQCGP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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)
IUPAC Name 
(3-hydroxy-4-methoxyphenyl)acetic acid
Synonym  Source
Homoisovanillic acidHMDB
Manual XrefsDatabases
HMDB0000333HMDB
Registry NumbersSources
Reaxys:1244106Reaxys
CAS:1131-94-8ChemIDplus
Citations