2-O-acetyl-3-O-trans-coutarate

2-<i>O</i>-acetyl-3-<i>O</i>-<i>trans</i>-coutarate




Chemical Formula:
C15H12O9
Molecular Weight:
336.254 Daltons
Monoisotopic Mass:
338.0637820483 Daltons
SMILES:
CC(=O)OC(C([O-])=O)C(C(=O)[O-])OC(=O)C=CC1(C=CC(O)=CC=1)
InChI:
1S/C15H14O9/c1-8(16)23-12(14(19)20)13(15(21)22)24-11(18)7-4-9-2-5-10(17)6-3-9/h2-7,12-13,17H,1H3,(H,19,20)(H,21,22)/p-2/b7-4+/t12-,13+/m1/s1
InChIKey:
AILCSCQIQZTQJR-GPEUJJIWSA-L

Synonyms
  • 2-O-acetyl-3-O-trans-(p-coumaroyl)-meso-tartarate

Databases
MetaCyc:  CPD-16579
PubChem (CID):  90658574
MetaNetX:  MNXM116932