Compound Identification
SMILES
NC1=CC=C(SC2OC(C(O)C(O)C2O)C(O)=O)C=C1
InChIKey
InChIKey=GUCRMDNXKXTARL-UHFFFAOYSA-N
Formula
C12H15NO6S
Mass
301.31
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 Aniline and substituted anilines Aryl thioethers Beta hydroxy acids and derivatives Pyrans Oxanes Monothioacetals Amino acids Secondary alcohols Sulfenyl compounds Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
S-glucuronide - 1-s-glucuronide - Hexose monosaccharide - S-glycosyl compound - Glycosyl compound - Aryl thioether - Aniline or substituted anilines - Beta-hydroxy acid - Benzenoid - Hydroxy acid - Monocyclic benzene moiety - Pyran - Monosaccharide - Oxane - Monothioacetal - Amino acid - Secondary alcohol - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Polyol - Organic nitrogen compound - Amine - Alcohol - Organic oxide - Hydrocarbon derivative - Primary amine - Carbonyl group - Organonitrogen compound - Organosulfur compound - 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