Compound Identification
SMILES
COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O1
InChIKey
InChIKey=NEAWXAXVQDDFJL-PICOHZKQSA-N
Formula
C22H22O12
Mass
478.406
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 4'-O-methylated flavonoids 3'-hydroxyflavonoids 5-hydroxyflavonoids Flavanones Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides O-glucuronides Alkyl glycosides O-glycosyl compounds Chromones Methoxyphenols Methoxybenzenes Phenoxy compounds Aryl alkyl ketones Anisoles 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Beta hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Oxanes Pyrans Vinylogous acids Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Polyols Carboxylic acids Acetals Hydrocarbon derivatives Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 4p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 3'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavanone - Flavan - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - O-glycosyl compound - Chromone - Glycosyl compound - Methoxyphenol - Chromane - Benzopyran - 1-benzopyran - Phenol ether - Anisole - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Phenoxy compound - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Hydroxy acid - Pyran - Benzenoid - Fatty acyl - Oxane - Monocyclic benzene moiety - Monosaccharide - Vinylogous acid - Secondary alcohol - Ketone - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Aldehyde - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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