CHEBI:168732 - 2-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid

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 2-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid
ChEBI ID CHEBI:168732
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H16O6
Net Charge 0
Average Mass 256.254
Monoisotopic Mass 256.09469
InChI InChI=1S/C12H16O6/c1-16-9-5-7(4-8(13)12(14)15)6-10(17-2)11(9)18-3/h5-6,8,13H,4H2,1-3H3,(H,14,15)
InChIKey BNDLDFZEMAXWDK-UHFFFAOYSA-N
SMILES OC(CC1=CC(OC)=C(OC)C(OC)=C1)C(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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid (CHEBI:168732) is a benzenes (CHEBI:22712)
2-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid (CHEBI:168732) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
2-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid
Manual Xrefs Databases
25491711 ChemSpider
HMDB0141330 HMDB
View more database links