KAEMPFEROL-7-O-BETA-D-GLUCURONIDE

Structure

2D structure of KAEMPFEROL-7-O-BETA-D-GLUCURONIDE
2D structure
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3D model

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

Names and identifiers

Name

KAEMPFEROL-7-O-BETA-D-GLUCURONIDE

IUPAC name

(2R,3R,4R,5S,6R)-6-((3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

SMILES

C1=CC(=CC=C1C3=C(C(=O)C2=C(C=C(C=C2O3)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)O)O)O

General information

Molecular formula

C21H18O12

Molecular weight

462.36 g/mol

Monoisotopic mass

462.0798 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

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