Compound Identification
SMILES
O[C@@H]1[C@@H](OS([O-])(=O)=O)[C@H](OC2=C(O)C=C(O)C3=C2OC(=CC3=O)C2=CC=C(O)C=C2)O[C@@H]([C@H]1OS([O-])(=O)=O)C(O)=O
InChIKey
InChIKey=QOKHDJUJQRSHRZ-SZCFVHRKSA-L
Formula
C21H16O18S2
Mass
620.46
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 7-hydroxyflavonoids Flavones 5-hydroxyflavonoids 4'-hydroxyflavonoids Phenolic glycosides O-glucuronides Hexoses Chromones O-glycosyl compounds Monosaccharide sulfates Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Oxanes Sulfuric acid monoesters Benzene and substituted derivatives Alkyl sulfates Heteroaromatic compounds Vinylogous acids Secondary alcohols Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-8-o-glucuronide - Flavonoid-8-o-glycoside - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Monosaccharide sulfate - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Monosaccharide - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Oxane - Pyran - Vinylogous acid - Organic sulfuric acid or derivatives - Heteroaromatic compound - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Acetal - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic anion - 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