deoxylimonate

Chemical Formula:

C₂₆H₃₁O₈

Molecular Weight:

471.526 Daltons

Monoisotopic Mass:

472.20971800399997 Daltons

SMILES:

CC3(C(C12(COC(CC1OC(C(CC(=O)[O-])2)(C)C)=O))CCC4(C=3CC(OC4C5(C=COC=5))=O)C)

InChI:

1S/C26H32O8/c1-14-16(5-7-25(4)17(14)9-22(30)33-23(25)15-6-8-31-12-15)26-13-32-21(29)11-19(26)34-24(2,3)18(26)10-20(27)28/h6,8,12,16,18-19,23H,5,7,9-11,13H2,1-4H3,(H,27,28)/p-1

InChIKey:

NLNLACOJSWLNHE-UHFFFAOYSA-M

Synonyms

deoxylimonic acid

Databases

MetaCyc: DEOXYLIMONATE

MetaboLights: MTBLC17133

ChemSpider: 4573626

PubChem (CID): 5459886

ChEBI: 17133

KEGG: C02027

Seed: cpd11999

MetaNetX: MNXM4566