3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid (CHEBI:168549)

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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-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid

ChEBI ID	CHEBI:168549

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O6

Net Charge

Average Mass

256.254

Monoisotopic Mass

256.09469

InChI

InChI=1S/C12H16O6/c1-16-9-4-7(8(13)6-11(14)15)5-10(17-2)12(9)18-3/h4-5,8,13H,6H2,1-3H3,(H,14,15)

InChIKey

RNHAKYOYXCWNHW-UHFFFAOYSA-N

SMILES

OC(C1=CC(OC)=C(OC)C(OC)=C1)CC(O)=O

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-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid (CHEBI:168549) is a benzenes (CHEBI:22712) 3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid (CHEBI:168549) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name

3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid