trans-coutarate

<i>trans</i>-coutarate




Chemical Formula:
C13H10O8
Molecular Weight:
294.217 Daltons
Monoisotopic Mass:
296.053217362 Daltons
SMILES:
C([O-])(=O)C(O)C(C(=O)[O-])OC(=O)C=CC1(=CC=C(O)C=C1)
InChI:
1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/p-2/b6-3+/t10-,11+/m1/s1
InChIKey:
INYJZRKTYXTZHP-MFFLNWJUSA-L

Synonyms
  • trans-coutaric acid
  • (2R,3S)-trans-coutarate
  • 2R,3S)-2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
  • trans-p-coumaroyltartaric acid

Databases
MetaCyc:  CPD-16578
PubChem (CID):  90657365
MetaboLights:  MTBLC76095
ChEBI:  76095
ChemSpider:  26325199
MetaNetX:  MNXM120600