5-O-caffeoylshikimate

5-<i>O</i>-caffeoylshikimate




Chemical Formula:
C16H15O8
Molecular Weight:
335.29 Daltons
Monoisotopic Mass:
336.0845174904 Daltons
SMILES:
C(OC1(C(O)C(O)C=C(C([O-])=O)C1))(=O)C=CC2(C=CC(O)=C(O)C=2)
InChI:
1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/p-1/b4-2+/t12-,13-,15-/m1/s1
InChIKey:
QMPHZIPNNJOWQI-GDDAOPKQSA-M

Synonyms
  • caffeoylshikimic acid
  • 5--O-caffeoylshikimic acid
  • caffeoylshikimate

Databases
MetaCyc:  CAFFEOYLSHIKIMATE
ChEBI:  91005
PubChem (CID):  25243950
HMDB:  HMDB33999
KEGG:  C10434
MetaNetX:  MNXM4499