Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](S\C(CCCCOC(=O)C2=CC=CC=C2)=N\OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=IEVWTBIZULGLHA-XKYBNXMZSA-M

Formula

C18H24NO11S2

Mass

494.51

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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 heteromonocyclic compounds

Substituents

Alkylglucosinolate - Glycosyl compound - S-glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Oxane - Benzenoid - Organic sulfuric acid or derivatives - Monothioacetal - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Organoheterocyclic compound - Sulfenyl compound - Polyol - Carboxylic acid derivative - Oxacycle - Primary alcohol - Alcohol - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic anion - Aromatic 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

Not available

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