6-[3-hydroxy-2-(3,5,7-trioxononanoyl)phenyl]-3,5-dioxohexanoate

Chemical Formula:

C₂₁H₂₁O₉

Molecular Weight:

417.391 Daltons

Monoisotopic Mass:

418.12638230510004 Daltons

SMILES:

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

InChI:

1S/C21H22O9/c1-2-13(22)7-15(24)9-16(25)10-19(28)21-12(4-3-5-18(21)27)6-14(23)8-17(26)11-20(29)30/h3-5,27H,2,6-11H2,1H3,(H,29,30)/p-1

InChIKey:

FEZACAATIBBDPS-UHFFFAOYSA-M

Databases

MetaCyc: CPD-19288

PubChem (CID): 90658284

MetaNetX: MNXM164367