Compound Identification
SMILES
O[C@@H]1C(O)[C@H](CC2=C(O[C@@H]3OC([C@@H](O)C(O)C3O)C(O)=O)C=CC(=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)OC([C@H]1O)C(O)=O
InChIKey
InChIKey=YCWTXXXAMOMFHY-AJYLMHCWSA-N
Formula
C28H28O17
Mass
636.515
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavonoid glycosides
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Level 5
Flavonoid O-glycosides
- Level 6 Flavonoid O-glucuronides
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Level 5
Flavonoid O-glycosides
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Subclass
Flavonoid glycosides
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides
Direct Parent
Flavonoid O-glucuronides
Alternative Parents
5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides C-glucuronides O-glucuronides Alkyl glycosides O-glycosyl compounds C-glycosyl compounds Chromones Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids Beta hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Oxanes Monosaccharides Dicarboxylic acids and derivatives Heteroaromatic compounds Vinylogous acids Secondary alcohols Carboxylic acids Oxacyclic compounds Acetals Polyols Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-4p-o-glucuronide - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - C-glucuronide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Glycosyl compound - Chromone - C-glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Monocyclic benzene moiety - Pyran - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Hydroxy acid - Monosaccharide - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Acetal - Polyol - Ether - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid.
External Descriptors
LIPIDMAPS (LMPK12110676) : Flavones and Flavonols