3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate (CHEBI:229973)

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-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate

ChEBI ID	CHEBI:229973

Definition	Major species at pH 7.3.

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

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C10H11O5

Net Charge

-1

Average Mass

211.194

Monoisotopic Mass

211.06120

InChI

InChI=1S/C10H12O5/c1-15-9-4-6(2-3-7(9)11)8(12)5-10(13)14/h2-4,8,11-12H,5H2,1H3,(H,13,14)/p-1

InChIKey

ABTZMSOARGMKMK-UHFFFAOYSA-M

SMILES

C=1C(=CC(=C(C1)O)OC)C(CC(=O)[O-])O

ChEBI Ontology
Outgoing	3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate (CHEBI:229973) is a monocarboxylic acid anion (CHEBI:35757) 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate (CHEBI:229973) is conjugate base of 3-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid (CHEBI:177935)

Incoming	3-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid (CHEBI:177935) is conjugate acid of 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate (CHEBI:229973)

Synonym	Source
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate	UniProt

Citation	Type	Source
24941968	PubMed citation	SUBMITTER