2-BUTYL-GLUCOSINOLATE

Structure

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3D model

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

((((E)-1-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)pentylidene)amino)oxy)sulfonic acid

CCCC\C(=N/O[S](=O)(=O)O)S[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O

C₁₁H₂₁NO₉S₂

375.42 g/mol

375.0658 Da

Pathway:

Superclass:

Class:

Glycoside:

Yes

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

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.

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.