Compound Identification
SMILES
NC(=N)SCC1=CC=CC=C1.OC(C(O)C(O)C(O)=O)C(O)C(O)=O
InChIKey
InChIKey=PBXFMVZPQZUIPX-UHFFFAOYSA-N
Formula
C14H20N2O8S
Mass
376.38
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
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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
Direct Parent
Glucuronic acid derivatives
Alternative Parents
Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Alpha hydroxy acids and derivatives Benzene and substituted derivatives Monosaccharides Dicarboxylic acids and derivatives Secondary alcohols Isothioureas Sulfenyl compounds Polyols Carboximidamides Carboxylic acids Organic oxides Carbonyl compounds Imines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Glucuronic acid or derivatives - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Alpha-hydroxy acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Secondary alcohol - Isothiourea - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Carboximidamide - Polyol - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Imine - Organonitrogen compound - Aromatic homomonocyclic 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