Compound Identification
SMILES
O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)SC1=NC2=CC=CC=C2S1
InChIKey
InChIKey=VDHSIRGTLHMXEI-LIJGXYGRSA-N
Formula
C13H13NO6S2
Mass
343.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Sugar acids and derivatives
-
Level 6
Glucuronic acid derivatives
-
Level 7
Glucuronides
- Level 8 S-glucuronides
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Level 7
Glucuronides
-
Level 6
Glucuronic acid derivatives
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Level 5
Sugar acids and derivatives
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
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
Hexoses Thioglycosides Benzothiazoles Aryl thioethers Beta hydroxy acids and derivatives Pyrans Benzenoids Oxanes Thiazoles Heteroaromatic compounds Monothioacetals Secondary alcohols Sulfenyl compounds Azacyclic compounds Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
S-glucuronide - 1-s-glucuronide - Hexose monosaccharide - Glycosyl compound - S-glycosyl compound - 1,3-benzothiazole - Aryl thioether - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Oxane - Pyran - Benzenoid - Azole - Thiazole - Monothioacetal - Heteroaromatic compound - Secondary alcohol - Azacycle - Oxacycle - Sulfenyl compound - Polyol - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic 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