Compound Identification
SMILES
CC(N(OC1OC(C(O)C(O)C1O)C(O)=O)C(N)=O)C1=CC2=CC=CC=C2S1
InChIKey
InChIKey=CYYKQHWQVGZJRJ-UHFFFAOYSA-N
Formula
C17H20N2O8S
Mass
412.41
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 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
Direct Parent
Glucuronic acid derivatives
Alternative Parents
Hexoses 1-benzothiophenes 2,3,5-trisubstituted thiophenes Beta hydroxy acids and derivatives Pyrans Oxanes Benzenoids Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Glucuronic acid or derivatives - Hexose monosaccharide - Benzothiophene - 1-benzothiophene - 2,3,5-trisubstituted thiophene - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Oxane - Pyran - Benzenoid - Heteroaromatic compound - Thiophene - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
External Descriptors
Not available