Compound Identification
SMILES
O[C@@H]1C(O)[C@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O[C@@H]3OC([C@H](O)[C@H](O)C3O)C(O)=O)=C(O)C=C2)OC([C@@H]1O)C(O)=O
InChIKey
InChIKey=OPANBGHBBMSMQC-LPAQUCEOSA-N
Formula
C27H26O18
Mass
638.487
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 5-hydroxyflavonoids 4'-hydroxyflavonoids Flavones Phenolic glycosides O-glucuronides O-glycosyl compounds Chromones Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Oxanes Monosaccharides Dicarboxylic acids and derivatives Vinylogous acids Heteroaromatic compounds Secondary alcohols Carboxylic acids Oxacyclic compounds Acetals Polyols Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Phenol - Beta-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Monosaccharide - Pyran - Oxane - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Polyol - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - 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
LIPIDMAPS (LMPK12110668) : Flavones and Flavonols