Compound Identification
SMILES
OCN(CCCC(=O)C1=C[N+](=CC=C1)C1OC(C(O)C(O)C1O)C(O)=O)N=O
InChIKey
InChIKey=TYHBDMRQATUNAA-UHFFFAOYSA-O
Formula
C16H22N3O9
Mass
400.363
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
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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
N-glucuronides
Alternative Parents
Glycosylamines Aryl alkyl ketones Beta hydroxy acids and derivatives Pyridinium derivatives Pyrans Oxanes Vinylogous amides Heteroaromatic compounds Secondary alcohols Organic N-nitroso compounds Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Alkanolamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-glucuronide - N-glycosyl compound - Glycosyl compound - Aryl alkyl ketone - Aryl ketone - Beta-hydroxy acid - Pyridinium - Pyridine - Pyran - Oxane - Hydroxy acid - Heteroaromatic compound - Vinylogous amide - Organic n-nitroso compound - Secondary alcohol - Ketone - Organic nitroso compound - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Alcohol - Organic cation - 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