QUERCETIN-3-O-BETA-D-GLUCURONIDE

Structure

2D structure of QUERCETIN-3-O-BETA-D-GLUCURONIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5274585

Names and identifiers

Name

QUERCETIN-3-O-BETA-D-GLUCURONIDE

IUPAC name

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

SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O

General information

Molecular formula

C21H18O13

Molecular weight

478.36 g/mol

Monoisotopic mass

478.0747 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Cichorium intybus L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Cichorium intybus L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Crepis sancta (L.) Bornm. subsp. nemausensis (P.Fourn.) Babc. leaf -
Phytochemical composition of the decoctions of Greek edible greens (Chórta) and evaluation of antioxidant and cytotoxic properties doi:10.3390/molecules23071541
Hypericum perforatum L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Hypericum perforatum L. aerial parts -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Lysimachia arvensis (L.) U.Manns & Anderb. leaf -
Kawashty, S.A., El-garf, I.A., El-negoumy, S.I. (1998). Chemosystematics of Anagallis arvensis L. (Primulaceae). Biochem Syst Ecol, 26(6), 663-668 doi:10.1016/s0305-1978(98)00008-8
Rubus idaeus L. subsp. idaeus - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Vaccinium myrtillus L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.