Secondary Metabolites Search

QUERCETIN-3-O-ALPHA-L-RHAMNOPYRANOSYL(1-2)-BETA-D-GLUCOPYRANOSYL-7-O-ALPHA-L-RHAMNOPYRANOSIDE

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Structure

2D structure of QUERCETIN-3-O-ALPHA-L-RHAMNOPYRANOSYL(1-2)-BETA-D-GLUCOPYRANOSYL-7-O-ALPHA-L-RHAMNOPYRANOSIDE
2D structure
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3D model

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

Names and identifiers

Name

QUERCETIN-3-O-ALPHA-L-RHAMNOPYRANOSYL(1-2)-BETA-D-GLUCOPYRANOSYL-7-O-ALPHA-L-RHAMNOPYRANOSIDE

IUPAC name

4-(3-(((2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-4-oxo-7-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-2-yl)-2-hydroxyphenolate

SMILES

C1=CC(=C(C=C1C3=C(C(=O)C2=C(C=C(C=C2O3)O[C@@H]4[C@@H]([C@@H]([C@H]([C@H](C)O4)O)O)O)O)O[C@@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O)O)O)O)[O-]

General information

Molecular formula

C33H39O20-

Molecular weight

755.66 g/mol

Monoisotopic mass

755.2040 Da

Classification

Pathway:
Shikimates and Phenylpropanoids
Superclass:
Flavonoids
Class:
Flavonols
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Arabidopsis thaliana (L.) Heynh. leaf -
Nakabayashi, R., Kusano, M., Kobayashi, M., Tohge, T., Yonekura-sakakibara, K., Kogure, N., Yamazaki, M., Kitajima, M., Saito, K., Takayama, H. (2009). Metabolomics-oriented isolation and structure elucidation of 37 compounds including two anthocyanins from Arabidopsis thaliana Phytochemistry, 70(8), 1017-1029 doi:10.1016/j.phytochem.2009.03.021