Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](S\C(=N/O)C2=CC=C(F)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=RENRIALIUSHACD-HSDFSKONSA-N

Formula

C13H16FNO6S

Mass

333.33

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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

Direct Parent

Desulfoglucosinolates

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Desulfoglucosinolate - S-glycosyl compound - Glycosyl compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Monothioacetal - 1,2-diol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Polyol - Hydrocarbon derivative - Primary alcohol - Alcohol - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as desulfoglucosinolates. These are derivatives of glucosinolates which arise by removal of the sulfonate moiety.

External Descriptors

Not available

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