Structure Information
Structure

Compound Identification

SMILES

COC1=CC(\C=C\C(=O)OCC[N+](C)(C)C)=CC(OC)=C1O.OC[C@H]1O[C@@H](S\C(CC2=CC=C(O)C=C2)=N\OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=NUXXPTJGCLKPIG-LUGJKSKQSA-N

Formula

C30H42N2O15S2

Mass

734.79

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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

Not available

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 - Acyl choline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Choline - Fatty acid ester - Phenol - Benzenoid - Monocyclic benzene moiety - Oxane - Fatty acyl - Enoate ester - Quaternary ammonium salt - Alpha,beta-unsaturated carboxylic ester - Tetraalkylammonium salt - Monothioacetal - Organic sulfuric acid or derivatives - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Monocarboxylic acid or derivatives - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Sulfenyl compound - Oxacycle - Organosulfur compound - Carbonyl group - Amine - Alcohol - Organic oxide - Primary alcohol - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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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