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CHEBI:168024 - 3-(3,4,5-trihydroxyphenyl)propanoic acid

ChEBI IDCHEBI:168024
ChEBI Name3-(3,4,5-trihydroxyphenyl)propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O5
Net Charge0
Average Mass198.174
Monoisotopic Mass198.05282
SMILESO=C(O)CCc1cc(O)c(O)c(O)c1
InChIInChI=1S/C9H10O5/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h3-4,10-11,14H,1-2H2,(H,12,13)
InChIKeyFWFVXNQOVGSSHX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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-(3,4,5-trihydroxyphenyl)propanoic acid (CHEBI:168024) is a benzenes (CHEBI:22712)
3-(3,4,5-trihydroxyphenyl)propanoic acid (CHEBI:168024) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
3-(3,4,5-trihydroxyphenyl)propanoic acid
Manual XrefsDatabases
158016ChemSpider
HMDB0125529HMDB
Registry NumbersSources
CAS:40284-59-1ChemIDplus