GLUCOSINOLATE,4-HYDROXY-3-INDOLYL-METHYL

Structure

2D structure of GLUCOSINOLATE,4-HYDROXY-3-INDOLYL-METHYL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 9576738

Names and identifiers

Name

GLUCOSINOLATE,4-HYDROXY-3-INDOLYL-METHYL

IUPAC name

((((Z)-2-(4-methoxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino)oxy)sulfonic acid

SMILES

COC1=CC=CC2=C1C(C/C(S[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=N/OS(=O)(O)=O)=CN2

General information

Molecular formula

C17H22N2O10S2

Molecular weight

478.50 g/mol

Monoisotopic mass

478.0716 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