ALLYL-GLUCOSINOLATE

Structure

2D structure of ALLYL-GLUCOSINOLATE
2D structure
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3D model

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

Names and identifiers

Name

ALLYL-GLUCOSINOLATE

IUPAC name

((Z)-1-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)but-3-en-1-ylidene)amino sulfate

SMILES

C=CCC(=NO[S](=O)(=O)[O-])S[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O

General information

Molecular formula

C10H16NO9S2-

Molecular weight

358.37 g/mol

Monoisotopic mass

358.0272 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Alliaria petiolata (M.Bieb.) Cavara & Grande - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.