Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1C=C(C\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N\OS([O-])(=O)=O)N2

InChIKey

InChIKey=MBJQLLNWPGGFDP-QEERMAAGSA-M

Formula

C17H21N2O10S2

Mass

477.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Monosaccharides - Hexoses - Glucosinolates

Direct Parent

Alkylglucosinolates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkylglucosinolate - S-glycosyl compound - Glycosyl compound - Indole - Indole or derivatives - Phenol ether - Anisole - Alkyl aryl ether - Oxane - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Organic sulfuric acid or derivatives - Monothioacetal - Pyrrole - 1,2-diol - Secondary alcohol - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Polyol - Hydrocarbon derivative - Organic oxide - Alcohol - Organonitrogen compound - Organosulfur compound - Primary alcohol - Organic nitrogen compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain.

External Descriptors

Not available

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