Compound Identification
SMILES
O[C@H]1[C@H](OC2=C(O)C=C(O)C3=C2OC(=C(O)C3=O)C2=CC(O)=C(O)C=C2)O[C@@H]([C@@H](O)[C@@H]1OS(O)(=O)=O)C(O)=O
InChIKey
InChIKey=PINIBBFPUYDUQL-PZSQONDKSA-N
Formula
C21H18O17S
Mass
574.42
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-8-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-8-O-glucuronides
Alternative Parents
Flavonoid-8-O-glycosides Flavonols 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids 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 Sulfuric acid monoesters Oxanes Alkyl sulfates Benzene and substituted derivatives Monosaccharides Vinylogous acids Heteroaromatic compounds Secondary alcohols Polyols Acetals Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-8-o-glucuronide - Flavonoid-8-o-glycoside - 3-hydroxyflavone - Hydroxyflavonoid - Flavone - 3'-hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3-hydroxyflavonoid - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Chromone - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Benzopyran - Catechol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - Pyranone - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Hydroxy acid - Pyran - Monosaccharide - Oxane - Organic sulfuric acid or derivatives - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Carboxylic acid - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid-8-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C8-position.
External Descriptors
Not available