CHRYSOERIOL-7-O-BETA-D-GLUCURONIDE

Structure

2D structure of CHRYSOERIOL-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

CHRYSOERIOL-7-O-BETA-D-GLUCURONIDE

IUPAC name

(3R,4R,5S,6R)-3,4,5-trihydroxy-6-((5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

SMILES

COC1=C(O)C=CC(=C1)C2=CC(=O)C4=C(O2)C=C(O[C@H]3OC([C@H](O)[C@@H](O)[C@@H]3O)C(O)=O)C=C4O

General information

Molecular formula

C22H20O12

Molecular weight

476.39 g/mol

Monoisotopic mass

476.0955 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Cymbalaria muralis G.Gaertn., B.Mey. & Scherb. subsp. muralis aerial parts -
Romussi, G., Fontana, N., Detommasi, N. (1996). Flavonoids from Cymbalaria muralis Gaernt. Phytother Res, 10, S84-S85