2-caffeoylisocitrate
Chemical Formula:
C15H11O10
Molecular Weight:
351.246 Daltons
Monoisotopic Mass:
354.05869667039997 Daltons
SMILES:
C([O-])(=O)CC(C(C(=O)[O-])OC(C=CC1(C=CC(=C(C=1)O)O))=O)C([O-])=O
InChI:
1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)/p-3/b4-2-
InChIKey:
Databases
MetaCyc:
CPD-162
ChEBI:
57663
PubChem (CID):
25245208
KEGG:
C02927
Seed:
cpd01874
MetaNetX:
MNXM4281