Compound Identification
SMILES
CC(C)NCC(COC1=CC=CC=C1CC=C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
InChIKey
InChIKey=BALXTVIXZJOBOI-ZURLMRQQSA-N
Formula
C21H31NO8
Mass
425.478
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 Phenol ethers Phenoxy compounds Alkyl aryl ethers Beta hydroxy acids and derivatives Oxanes Pyrans Monosaccharides Secondary alcohols Amino acids Acetals Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Glycosyl compound - O-glycosyl compound - Phenoxy compound - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Oxane - Pyran - Benzenoid - Secondary alcohol - Amino acid or derivatives - Amino acid - Secondary amine - Polyol - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Oxacycle - Amine - Organonitrogen compound - Organopnictogen compound - Organic oxide - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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