Compound Identification
SMILES
OCC1O[C@@H](OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H]([C@H](O)C(O)C4O)C(O)=O)C=C3O2)C(O)C(O)[C@@H]1O
InChIKey
InChIKey=DUNZXXOAZWJFBE-VZWKGHTHSA-N
Formula
C27H28O17
Mass
624.504
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 Flavones 5-hydroxyflavonoids 3'-hydroxyflavonoids Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides O-glucuronides Alkyl glycosides Chromones O-glycosyl compounds Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids Beta hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Monosaccharides Oxanes Vinylogous acids Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Chromone - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - Beta-hydroxy acid - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyran - Hydroxy acid - Monosaccharide - Oxane - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Acetal - Alcohol - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Primary alcohol - 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
LIPIDMAPS (LMPK12110672) : Flavones and Flavonols