Compound Identification
SMILES
COC1=C(OC)C=C2C(CC3=C(NC4=CC(F)=CC=C4)N(N=C23)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C1
InChIKey
InChIKey=GDYVNFVIPNGIGF-KHYDEXNFSA-N
Formula
C24H24FN3O8
Mass
501.467
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 Aniline and substituted anilines Anisoles Alkyl aryl ethers Beta hydroxy acids and derivatives Fluorobenzenes Pyrans Oxanes Aryl fluorides Pyrazoles Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Amines Organofluorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-glucuronide - N-glycosyl compound - Glycosyl compound - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Halobenzene - Beta-hydroxy acid - Fluorobenzene - Benzenoid - Pyran - Monocyclic benzene moiety - Aryl halide - Oxane - Hydroxy acid - Aryl fluoride - Heteroaromatic compound - Azole - Pyrazole - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Polyol - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic 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