Compound Identification
SMILES
OC1C(O)[C@H](OC2=C(O)C=C(C=C2)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)O[C@@H]([C@H]1O)C(O)=O
InChIKey
InChIKey=OUQZCILJSVDJFB-JLWVTEDMSA-N
Formula
C21H18O13
Mass
478.362
Taxonomic Classification
Taxonomy Tree
-
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
Flavonols 3'-hydroxyflavonoids 7-hydroxyflavonoids 5-hydroxyflavonoids 3-hydroxyflavonoids Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides O-glucuronides Alkyl glycosides O-glycosyl compounds Chromones Phenoxy compounds Phenol ethers Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Vinylogous acids Heteroaromatic compounds Secondary alcohols Carboxylic acids Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Polyols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-4p-o-glucuronide - 3-hydroxyflavone - Hydroxyflavonoid - Flavone - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 3-hydroxyflavonoid - 3'-hydroxyflavonoid - Fatty acyl glycoside - Phenolic glycoside - Fatty acyl glycoside of mono- or disaccharide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - O-glycosyl compound - Chromone - Glycosyl compound - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic oxide - Alcohol - Carbonyl group - Organooxygen compound - 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 (LMPK12112229) : Flavones and Flavonols