Compound Identification
SMILES
O[C@H]1[C@H](O)[C@H](O[C@](O)(OC2=NC3=C(OC4=CC=CC=C34)C3=CC=CC=C23)[C@@H]1O)C(O)=O
InChIKey
InChIKey=LAAWKBWVCZOUPA-IPNHASCSSA-N
Formula
C21H17NO9
Mass
427.365
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
Isoquinolines and derivatives Benzofurans Furopyridines Beta hydroxy acids and derivatives Pyridines and derivatives Pyrans Benzenoids Oxanes Monosaccharides Furans Heteroaromatic compounds Secondary alcohols Orthocarboxylic acid derivatives Azacyclic compounds Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Isoquinoline - Benzofuran - Furopyridine - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Benzenoid - Pyridine - Pyran - Oxane - Furan - Heteroaromatic compound - Secondary alcohol - Orthocarboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Polyol - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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