2-O-caffeoylglucarate

Chemical Formula:

C₁₅H₁₄O₁₁

Molecular Weight:

370.269 Daltons

Monoisotopic Mass:

372.0692613567 Daltons

SMILES:

C1(C(=CC(O)=C(O)C=1)C=CC(=O)OC(C(C(C(C(=O)[O-])O)O)O)C(=O)[O-])

InChI:

1S/C15H16O11/c16-7-3-1-6(5-8(7)17)2-4-9(18)26-13(15(24)25)11(20)10(19)12(21)14(22)23/h1-5,10-13,16-17,19-21H,(H,22,23)(H,24,25)/p-2/b4-2+/t10-,11-,12-,13+/m0/s1

InChIKey:

OMIXKOJEIRRAJW-CDEBNWADSA-L

Databases

MetaCyc: 2-O-CAFFEOYLGLUCARATE

ChEBI: 58157

PubChem (CID): 49792003

KEGG: C03062

Seed: cpd01959

MetaNetX: MNXM4299