Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(O)=O)C=C2O1
InChIKey
InChIKey=JNGIOHRDWMHQEK-NQKPQCGMSA-N
Formula
C28H28O17
Mass
636.515
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'-O-methylated flavonoids 5-hydroxyflavonoids Flavones Phenolic glycosides O-glucuronides Chromones Disaccharides O-glycosyl compounds Anisoles Phenoxy compounds Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Oxanes Vinylogous acids Heteroaromatic compounds Secondary alcohols Polyols Carboxylic acids Acetals Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 4p-methoxyflavonoid-skeleton - Flavone - 5-hydroxyflavonoid - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Disaccharide - Chromone - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Beta-hydroxy acid - Pyranone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Pyran - Dicarboxylic acid or derivatives - Oxane - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Polyol - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - 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