CHRYSOERIOL-7-RUTINOSIDE

Structure

2D structure of CHRYSOERIOL-7-RUTINOSIDE
2D structure
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3D model

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

Names and identifiers

Name

CHRYSOERIOL-7-RUTINOSIDE

IUPAC name

5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-((((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

SMILES

COC1=C(O)C=CC(=C1)C2=CC(=O)C5=C(O2)C=C(O[C@H]4O[C@@H](CO[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]4O)C=C5O

General information

Molecular formula

C28H32O15

Molecular weight

608.55 g/mol

Monoisotopic mass

608.1741 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Setaria italica (L.) P.Beauv. subsp. viridis (L.) Thell. leaf -
Gluchoff-fiasson, K., Jay, M., Viricel, M.R. (1989). Flavone o- and c-glycosides from Setaria italica. Phytochemistry, 28(9), 2471-2475 doi:10.1016/s0031-9422(00)98008-7