3-(2,4-dihydroxy-5-methoxyphenyl)propanoic acid (CHEBI:190355)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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-(2,4-dihydroxy-5-methoxyphenyl)propanoic acid

ChEBI ID	CHEBI:190355

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H12O5

Net Charge

Average Mass

212.201

Monoisotopic Mass

212.06847

InChI

InChI=1S/C10H12O5/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h4-5,11-12H,2-3H2,1H3,(H,13,14)

InChIKey

PLLIJHAKLDZNQC-UHFFFAOYSA-N

SMILES

O(C=1C=C(CCC(O)=O)C(O)=CC1O)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in intestinal content (MEO:0000968). of strain C57BL/6JÂ [EFO:0000606] 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-(2,4-dihydroxy-5-methoxyphenyl)propanoic acid (CHEBI:190355) is a benzenes (CHEBI:22712) 3-(2,4-dihydroxy-5-methoxyphenyl)propanoic acid (CHEBI:190355) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name

3-(2,4-dihydroxy-5-methoxyphenyl)propanoic acid