Structure Information
Structure

Compound Identification

SMILES

NC1=CC=C(C=C1)C(\S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N/O

InChIKey

InChIKey=GRUCJBOXUHXPEA-HHXBAHLXSA-N

Formula

C13H18N2O6S

Mass

330.36

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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 heteromonocyclic compounds

Substituents

Desulfoglucosinolate - Glycosyl compound - S-glycosyl compound - Aniline or substituted anilines - Monocyclic benzene moiety - Oxane - Benzenoid - Monothioacetal - Secondary alcohol - 1,2-diol - Sulfenyl compound - Polyol - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Primary amine - Primary alcohol - Alcohol - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic 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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