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/OS(O)(=O)=O)=CN2

InChIKey

InChIKey=IIAGSABLXRZUSE-OXESJPRGSA-N

Formula

C17H22N2O10S2

Mass

478.49

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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 - Glycosyl compound - S-glycosyl compound - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Oxane - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Monothioacetal - Organic sulfuric acid or derivatives - Secondary alcohol - Sulfenyl compound - Organoheterocyclic compound - Ether - Oxacycle - Polyol - Azacycle - Organic nitrogen compound - Primary alcohol - Organic oxide - Organonitrogen compound - Organosulfur compound - Alcohol - Hydrocarbon derivative - 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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