Compound Identification
SMILES
OC1C(O)C(OC2=C(O)C(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)OC(C1O)C(O)=O
InChIKey
InChIKey=DWEKIXALQAUMQL-UHFFFAOYSA-N
Formula
C21H20O12
Mass
464.379
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 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids Flavanones Phenolic glycosides Fatty acyl glycosides of mono- and disaccharides O-glucuronides Alkyl glycosides Hexoses Chromones O-glycosyl compounds Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Beta hydroxy acids and derivatives Benzene and substituted derivatives Oxanes Pyrans Vinylogous acids Secondary alcohols Carboxylic acids Polyols Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - Hydroxyflavonoid - Flavanone - 6-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - Flavan - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - Fatty acyl glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Chromone - 1-benzopyran - Chromane - Benzopyran - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyran - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Hydroxy acid - Fatty acyl - Oxane - Vinylogous acid - Secondary alcohol - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aldehyde - Alcohol - Hydrocarbon derivative - 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