Compound Identification
SMILES
OC1C(O)C(OC(=O)CCC(OS(O)(=O)=O)C2=CN=CC=C2)OC(C1O)C(O)=O
InChIKey
InChIKey=NWKXXTSFQMGWEB-UHFFFAOYSA-N
Formula
C15H19NO12S
Mass
437.37
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 O-glucuronides
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Level 7
Glucuronides
-
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 - Glucuronic acid derivatives - Glucuronides
Direct Parent
O-glucuronides
Alternative Parents
Fatty acid esters Beta hydroxy acids and derivatives Sulfuric acid monoesters Pyridines and derivatives Pyrans Oxanes Monosaccharides Dicarboxylic acids and derivatives Alkyl sulfates Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Carboxylic acids Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-glucuronide - 1-o-glucuronide - Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Pyridine - Pyran - Oxane - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
External Descriptors
Not available