Compound Identification
SMILES
COC1=C(OC2=CC3=C(OCO3)C(O)=C2C1=O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)C(O)C2O)C(O)=O)C=C1
InChIKey
InChIKey=QZRLCSNTKHSVAP-UFUQDQTFSA-N
Formula
C23H20O13
Mass
504.4
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
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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
Direct Parent
Flavonoid O-glucuronides
Alternative Parents
3-O-methylated flavonoids 5-hydroxyflavonoids Flavones Phenolic glycosides Fatty acyl glycosides of mono- and disaccharides O-glucuronides 3-methoxychromones Alkyl glycosides O-glycosyl compounds Benzodioxoles Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Beta hydroxy acids and derivatives Oxanes Monosaccharides Vinylogous acids Heteroaromatic compounds Secondary alcohols Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Polyols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-4p-o-glucuronide - 3-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 5-hydroxyflavonoid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - 3-methoxychromone - Glucuronic acid or derivatives - Alkyl glycoside - O-glycosyl compound - Chromone - Glycosyl compound - Benzopyran - 1-benzopyran - Benzodioxole - Phenoxy compound - Phenol ether - Beta-hydroxy acid - Alkyl aryl ether - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyran - Oxane - Hydroxy acid - Monosaccharide - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Acetal - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Polyol - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - 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 (LMPK12112850) : Flavones and Flavonols