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CHEBI:189725 - 3-(3,5-dihydroxyphenyl)propionic acid

ChEBI IDCHEBI:189725
ChEBI Name3-(3,5-dihydroxyphenyl)propionic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O4
Net Charge0
Average Mass182.175
Monoisotopic Mass182.05791
SMILESO=C(O)CCc1cc(O)cc(O)c1
InChIInChI=1S/C9H10O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5,10-11H,1-2H2,(H,12,13)
InChIKeyITPFIKQWNDGDLG-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)
3-(3,5-dihydroxyphenyl)propionic acid (CHEBI:189725) is a benzenes (CHEBI:22712)
3-(3,5-dihydroxyphenyl)propionic acid (CHEBI:189725) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
3-(3,5-dihydroxyphenyl)propanoic acid
Manual XrefsDatabases
HMDB0125533HMDB
141878ChemSpider
Registry NumbersSources
CAS:26539-01-5ChemIDplus