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-N

Formula

C18H25NO11S2

Mass

495.51

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