GLUCOSINOLATE,3-INDOLHYL-METHYL

Structure

2D structure of GLUCOSINOLATE,3-INDOLHYL-METHYL
2D structure
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3D model

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

Names and identifiers

Name

GLUCOSINOLATE,3-INDOLHYL-METHYL

IUPAC name

((E)-2-(3a,7a-dihydro-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino sulfate

SMILES

C(\C(=N/O[S](=O)(=O)[O-])S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C2=CNC3C2C=CC=C3

General information

Molecular formula

C16H21N2O9S2-

Molecular weight

449.48 g/mol

Monoisotopic mass

449.0694 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Diplotaxis erucoides (L.) DC. subsp. erucoides root -
Lockwood, G.B., Belkhiri, A. (1991). Glucosinolate spectrum of some Algerian Cruciferae. Plant Syst Evol, 176, 11-20 doi:10.1007/bf00937942