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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-(3,4,5-trihydroxyphenyl)propanoic acid

ChEBI ID	CHEBI:168024

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Formula

C9H10O5

Net Charge

Average Mass

198.174

Monoisotopic Mass

198.05282

InChI

InChI=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)

InChIKey

FWFVXNQOVGSSHX-UHFFFAOYSA-N

SMILES

OC1=CC(CCC(O)=O)=CC(O)=C1O

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
40284-59-1	CAS Registry Number	ChemIDplus