Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1C(C\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N\O)=CN2

InChIKey

InChIKey=CLKAEHXWEOMYHB-KYKLFQSUSA-N

Formula

C17H22N2O7S

Mass

398.43

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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

Direct Parent

Desulfoglucosinolates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Desulfoglucosinolate - Glycosyl compound - S-glycosyl compound - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Oxane - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Monothioacetal - Secondary alcohol - 1,2-diol - Sulfenyl compound - Ether - Oxacycle - Azacycle - Polyol - Organoheterocyclic compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as desulfoglucosinolates. These are derivatives of glucosinolates which arise by removal of the sulfonate moiety.

External Descriptors

Not available

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