SAMBUNIGRIN

Structure

2D structure of SAMBUNIGRIN
2D structure
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3D model

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

Names and identifiers

Name

SAMBUNIGRIN

IUPAC name

2-phenyl-2-(((2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile

SMILES

C1=CC=C(C=C1)C(C#N)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O

General information

Molecular formula

C14H17NO6

Molecular weight

295.29 g/mol

Monoisotopic mass

295.1056 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Sambucus nigra L. leaf 420 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.