NIGRACIN

Structure

2D structure of NIGRACIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 3084295

Names and identifiers

Name

NIGRACIN

IUPAC name

((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-2-(hydroxymethyl)phenoxy)tetrahydro-2H-pyran-2-yl)methyl benzoate

SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C(C=C3)O)CO)O)O)O

General information

Molecular formula

C20H22O9

Molecular weight

406.39 g/mol

Monoisotopic mass

406.1264 Da

Classification

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

Plants with the compound

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