BIOCHANIN-A-7-O-BETA-D-GLUCOSIDE-6''-MALONATE
Drag to rotate, scroll to zoom
Name
BIOCHANIN-A-7-O-BETA-D-GLUCOSIDE-6''-MALONATE
IUPAC name
3-oxo-3-(((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-((5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)propanoic acid
SMILES
O=C2C1=C(C=C(C=C1OC=C2C3=CC=C(C=C3)OC)O[C@@H]4[C@H]([C@@H]([C@H]([C@H](COC(CC(=O)O)=O)O4)O)O)O)O
Molecular formula
C25H24O13
Molecular weight
532.45 g/mol
Monoisotopic mass
532.1217 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Trifolium pratense L. subsp. pratense | root | 358 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|
| Trifolium pratense L. subsp. pratense | stem | 108 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|