Compound Identification
SMILES
[2H]C([2H])([2H])C([2H])(NC[C@@H](COC1=CC=CC2=CC=CC=C12)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C([2H])([2H])[2H]
InChIKey
InChIKey=PCALHJGQCKATMK-HYTYZMOVSA-N
Formula
C22H29NO8
Mass
442.516
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
O-glycosyl compounds Naphthalenes Alkyl aryl ethers Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Secondary alcohols Amino acids Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Glycosyl compound - O-glycosyl compound - Naphthalene - Alkyl aryl ether - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Benzenoid - Pyran - Oxane - Amino acid or derivatives - Amino acid - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Polyol - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Organic nitrogen compound - Organonitrogen 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