Compound Identification
SMILES
OCC1O[C@@H](OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(O[C@@H]2OC([C@@H](O)C(O)C2O)C(O)=O)C3=O)C(O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=OQGHLKIINJRWAG-IGCQMJPPSA-N
Formula
C27H28O19
Mass
656.502
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-3-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-3-O-glucuronides
Alternative Parents
Flavonoid-3-O-glycosides Flavonoid-8-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Phenolic glycosides O-glucuronides O-glycosyl compounds Chromones Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Beta hydroxy acids and derivatives Oxanes Benzene and substituted derivatives Monosaccharides Vinylogous acids Heteroaromatic compounds Secondary alcohols Carboxylic acids Acetals Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3-o-glucuronide - Flavonoid-8-o-glycoside - Flavonoid-3-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Chromone - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Catechol - Pyranone - Phenol - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Benzenoid - Oxane - Monocyclic benzene moiety - Monosaccharide - Hydroxy acid - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Acetal - Polyol - Oxacycle - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Organic oxygen compound - Organooxygen compound - Alcohol - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position.
External Descriptors
LIPIDMAPS (LMPK12113200) : Flavones and Flavonols