Compound Identification
SMILES
COC1=CC=C(CO[C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H](OCC3=CC=CC=C3)[C@@H](O[C@@H]3[C@H](OCC4=CC=CC=C4)[C@@H](OCC4=CC=CC=C4)[C@H](OCC4=CC=CC=C4)O[C@@H]3C(=O)OCC3=CC=CC=C3)O[C@@H]2C(=O)OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=QAOFUANNBJREGJ-SSIHPZSWSA-N
Formula
C69H68O14
Mass
1121.289
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
Disaccharides O-glycosyl compounds Benzyloxycarbonyls Benzylethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrans Dicarboxylic acids and derivatives Oxanes Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzyloxycarbonyl - Benzylether - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyran - Oxane - Carboxylic acid ester - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Carbonyl group - Organic oxide - 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