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Structure Information
Structure

Compound Identification

SMILES

OC1C(O)C(OC(C1O)C(O)=O)SC1=CC=CC=C1

InChIKey

InChIKey=XXJOOMMTHULGSD-UHFFFAOYSA-N

Formula

C12H14O6S

Mass

286.3

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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

Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides

Direct Parent

S-glucuronides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

S-glucuronide - 1-s-glucuronide - Glycosyl compound - S-glycosyl compound - Aryl thioether - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Oxane - Pyran - Benzenoid - Monothioacetal - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Organic oxide - Organosulfur compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as s-glucuronides. These are carbohydrate derivatives containing glucuronic acid linked to another substance through a S-glycosidic bond.

External Descriptors

Not available

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