BIOCHANIN-A-7-O-GLUCOSIDE-6''-MALONATE-METHYL-ESTER

Structure

2D structure of BIOCHANIN-A-7-O-GLUCOSIDE-6''-MALONATE-METHYL-ESTER
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

BIOCHANIN-A-7-O-GLUCOSIDE-6''-MALONATE-METHYL-ESTER

IUPAC name

methyl (((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)methyl) malonate

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)OC)=O)O4)O)O)O)O

General information

Molecular formula

C26H26O13

Molecular weight

546.48 g/mol

Monoisotopic mass

546.1373 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Trifolium pratense L. subsp. pratense leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.