Compound Identification
SMILES
[Na+].OC1C(O)C(OC(C1O)C([O-])=O)N(O)C1=CC=C(C=C1)C1=CC=CC=C1
InChIKey
InChIKey=CALIBSYELOAUMC-UHFFFAOYSA-M
Formula
C18H18NNaO7
Mass
383.332
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 N-glucuronides
-
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
N-glucuronides
Alternative Parents
Biphenyls and derivatives Glycosylamines 1-hydroxylamino, 2-unsubstituted benzenoids N-phenylhydroxylamines Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Secondary alcohols Carboxylic acid salts Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives N-organohydroxylamines Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic sodium salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-glucuronide - 1-n-glucuronide - Biphenyl - Glycosyl compound - N-glycosyl compound - N-phenylhydroxylamine - 1-hydroxylamino, 2-unsubstituted benzenoid - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Benzenoid - Pyran - Oxane - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organic alkali metal salt - N-organohydroxylamine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Polyol - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Carbonyl group - Alcohol - Organic salt - Organic zwitterion - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a N-glycosidic bond.
External Descriptors
Not available