Structure Information
Structure

Compound Identification

SMILES

CSCCCCC(SC1OC(CO)C(O)C(O)C1O)=NOS([O-])(=O)=O

InChIKey

InChIKey=GKUMMDFLKGFCKH-UHFFFAOYSA-M

Formula

C12H22NO9S3

Mass

420.49

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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

Aliphatic heteromonocyclic compounds

Substituents

Alkylglucosinolate - Glycosyl compound - S-glycosyl compound - Oxane - Monothioacetal - Organic sulfuric acid or derivatives - Secondary alcohol - Polyol - Oxacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Dialkylthioether - Primary alcohol - Alcohol - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organic anion - Aliphatic heteromonocyclic 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

META CYC (CPDQT-281) : a glucosinolate

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