Products 137705-39-6

CAS 137705-39-6 appears in our catalog under these names: 6-O-Malonylglycitin, "6""-O-Malonylglycitin", Glycitin 6''-O-Malonate. Offered by: Biosynth, MedChemExpress, TRC. Available pack sizes: 2mg, 1mg, 5mg, 10mg, 1 mg, 100mg.

Structural formula: {0} (CAS {1})

Malonylglycitin is a glycosyloxyisoflavone that is glycitin substituted by a malonyl group at position 6''. It has a role as a plant metabolite. It is a malonate ester, a hydroxyisoflavone, a methoxyisoflavone, a monosaccharide derivative and a glycosyloxyisoflavone. It is functionally related to a glycitin.

Source: ChEBI

Identity
Molecular formulaC25H24O13
Molecular weight532.4 g/mol
IUPAC name3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
InChIKeyOWMHCYFEIJPHFB-GOZZSVHWSA-N
SMILESCOC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O

Computed by PubChem (NCBI)