Compound Identification
SMILES
O[C@@H]1[C@@H](O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H]([C@H]1O)C(O)=O
InChIKey
InChIKey=MBWOCQLTCWTIJE-MBIBTLSJSA-N
Formula
C21H18O14
Mass
494.361
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 Flavones 7-hydroxyflavonoids 3'-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids O-glucuronides Hexoses O-glycosyl compounds Chromones Pyrogallols and derivatives Pyranones and derivatives Beta hydroxy acids and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxanes Vinylogous acids Heteroaromatic compounds Secondary alcohols Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3-o-glucuronide - Flavonoid-3-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Benzenetriol - Pyrogallol derivative - Pyranone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Monocyclic benzene moiety - Oxane - Hydroxy acid - Benzenoid - Monosaccharide - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Carboxylic acid - Alcohol - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - 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
Not available