Structure Information
Structure

Compound Identification

SMILES

COC1=CC(\C=C\C(=O)OCCC\C(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=N/OS([O-])(=O)=O)=CC(OC)=C1O

InChIKey

InChIKey=ZXNGTIMPVQJBQY-GQCUBUKLSA-M

Formula

C21H28NO14S2

Mass

582.57

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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 - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - S-glycosyl compound - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Fatty acid ester - Phenol - Monocyclic benzene moiety - Benzenoid - Oxane - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Monothioacetal - Organic sulfuric acid or derivatives - Secondary alcohol - Carboxylic acid ester - Sulfenyl compound - Polyol - Carboxylic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Organosulfur compound - Carbonyl group - Primary alcohol - Organonitrogen 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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