4-coumarate

4-coumarate




Chemical Formula:
C9H7O3
Molecular Weight:
163.152 Daltons
Monoisotopic Mass:
164.0473441231 Daltons
SMILES:
C(=O)([O-])C=CC1(=CC=C(O)C=C1)
InChI:
1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/p-1/b6-3+
InChIKey:
NGSWKAQJJWESNS-ZZXKWVIFSA-M

Synonyms
  • 4-hydroxycinnamate
  • 4-hydroxycinnamic acid
  • p-coumarate
  • trans-4-hydroxycinnamate
  • p-coumaric acid
  • trans-p-hydroxycinnamate
  • trans-4-coumarate

Databases
MetaCyc:  COUMARATE
RefMet:  4-Hydroxycinnamic acid
MetaboLights:  MTBLC12876
HMDB:  HMDB02035
ChEBI:  12876 32374
ChemSpider:  4450678
PubChem (CID):  54708745 637542
KEGG:  C00811
CAS:  7400-08-0
PupChem (SID):  4069
CHEMBL:  CHEMBL66879
KNApSAcK:  C00000152 C00000580 C00026316
PDB-CCD:  HC4
3DMET:  B01335
NIKKAJI:  J6.196D J8.929J
Seed:  cpd00604
MetaNetX:  MNXM505