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CHEBI:189726 - dihydroisoferulic acid

ChEBI IDCHEBI:189726
ChEBI Namedihydroisoferulic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O4
Net Charge0
Average Mass196.202
Monoisotopic Mass196.07356
SMILESCOc1ccc(CCC(=O)O)cc1O
InChIInChI=1S/C10H12O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
InChIKeyZVIJTQFTLXXGJA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
dihydroisoferulic acid (CHEBI:189726) is a benzenes (CHEBI:22712)
dihydroisoferulic acid (CHEBI:189726) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
3-(3-hydroxy-4-methoxyphenyl)propanoic acid
Manual XrefsDatabases
2033192ChemSpider
HMDB0131138HMDB
Registry NumbersSources
CAS:1135-15-5ChemIDplus