2-coumarate

2-coumarate




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

Synonyms
  • 2-hydroxycinnamate
  • trans-2-hydroxycinnamate
  • o-coumarate

Databases
MetaCyc:  2-COUMARATE
RefMet:  2-Hydroxycinnamic acid
HMDB:  HMDB02641
ChEBI:  11594 12875
ChemSpider:  4840442
PubChem (CID):  54693535 637540
KEGG:  C01772
MetaNetX:  MNXM1357