NIGRACIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 3084295
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
Molecular formula
C20H22O9
Molecular weight
406.39 g/mol
Monoisotopic mass
406.1264 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| 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.
|