EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:181861 - 2-[3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]butanedioic acid

ChEBI IDCHEBI:181861
ChEBI Name2-[3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]butanedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O9
Net Charge0
Average Mass340.284
Monoisotopic Mass340.07943
SMILESCOc1cc(C=CC(=O)OC(CC(=O)O)C(=O)O)cc(OC)c1O
InChIInChI=1S/C15H16O9/c1-22-9-5-8(6-10(23-2)14(9)19)3-4-13(18)24-11(15(20)21)7-12(16)17/h3-6,11,19H,7H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyDUDGAPSRYCQPBG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]butanedioic acid (CHEBI:181861) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]butanedioic acid