Compound Identification
SMILES
COC1=C(O[C@@H]2O[C@@H]([C@@H](O)C(O)C2O)C(O)=O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)C=C2O1
InChIKey
InChIKey=XGVYZZQNJZYTNO-KKOUVIJUSA-N
Formula
C28H28O18
Mass
652.514
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
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Level 6
Flavonoid O-glucuronides
- Level 7 Flavonoid-7-O-glucuronides
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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
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides - Flavonoid O-glucuronides
Direct Parent
Flavonoid-7-O-glucuronides
Alternative Parents
Flavonoid-7-O-glycosides 3'-O-methylated flavonoids 5-hydroxyflavonoids Flavones Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides O-glucuronides Alkyl glycosides Chromones O-glycosyl compounds Anisoles Phenoxy compounds Methoxybenzenes 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives Beta hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Oxanes Dicarboxylic acids and derivatives Heteroaromatic compounds Vinylogous acids Secondary alcohols Oxacyclic compounds Polyols Acetals Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 3p-methoxyflavonoid-skeleton - Flavone - 5-hydroxyflavonoid - Hydroxyflavonoid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Beta-hydroxy acid - Pyranone - Oxane - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Hydroxy acid - Pyran - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Polyol - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position.
External Descriptors
LIPIDMAPS (LMPK12110790) : Flavones and Flavonols