Compound Identification
SMILES
COC1=CC=CC=C1C1=CC(=O)C2=C(O)C(O)=C(OC3(O)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O1
InChIKey
InChIKey=QTLAUFZCVPGLMP-FTXGJLNKSA-N
Formula
C22H20O13
Mass
492.389
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
-
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 2'-O-methylated flavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids Flavones Phenolic glycosides O-glucuronides Chromones Phenoxy compounds Anisoles Methoxybenzenes 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Beta hydroxy acids and derivatives Oxanes Monosaccharides Vinylogous acids Heteroaromatic compounds Secondary alcohols Orthocarboxylic acid derivatives Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Polyols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 2p-methoxyflavonoid-skeleton - Flavone - 5-hydroxyflavonoid - 6-hydroxyflavonoid - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Hydroxy acid - Oxane - Monosaccharide - Pyran - Benzenoid - Vinylogous acid - Heteroaromatic compound - Orthocarboxylic acid derivative - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrocarbon derivative - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - 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
Not available