ferulate

ferulate




Chemical Formula:
C10H9O4
Molecular Weight:
193.179 Daltons
Monoisotopic Mass:
194.05790880939998 Daltons
SMILES:
COC1(=CC(C=CC([O-])=O)=CC=C(O)1)
InChI:
1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/p-1/b5-3+
InChIKey:
KSEBMYQBYZTDHS-HWKANZROSA-M

Synonyms
  • ferulic acid
  • 3-methoxy-4-hydroxycinnamic acid
  • caffeic acid 3-methyl ether
  • 4-hydroxy-3-methoxycinnamic acid
  • 3-methoxy-4-hydroxy-trans-cinnamate
  • 4-Hydroxy-3-methoxycinnamate

Databases
MetaCyc:  FERULIC-ACID
RefMet:  Trans-Feruli Trans-Ferulic acid
MetaboLights:  MTBLC29749
HMDB:  HMDB00954
ChemSpider:  4573888
PubChem (CID):  54691413
ChEBI:  29749 17620
CAS:  1135-24-6
KEGG:  C01494
Seed:  cpd01059
MetaNetX:  MNXM573
PupChem (SID):  4664
CHEMBL:  CHEMBL32749
KNApSAcK:  C00002743 C00034325
PDB-CCD:  FER
3DMET:  B00304
NIKKAJI:  J7.273G