CHEBI:174167 - Dihydrosinapic 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 Dihydrosinapic acid
ChEBI ID CHEBI:174167
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H14O5
Net Charge 0
Average Mass 226.228
Monoisotopic Mass 226.08412
InChI InChI=1S/C11H14O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h5-6,14H,3-4H2,1-2H3,(H,12,13)
InChIKey BPPVOXVSMSXBEI-UHFFFAOYSA-N
SMILES O(C1=CC(CCC(O)=O)=CC(OC)=C1O)C
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 Dihydrosinapic acid (CHEBI:174167) is a benzenes (CHEBI:22712)
Dihydrosinapic acid (CHEBI:174167) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid
Manual Xrefs Databases
76391 ChemSpider
HMDB0041727 HMDB
View more database links
Registry Number Type Source
14897-78-0 CAS Registry Number ChemIDplus