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-N
Formula
C21H18O18S2
Mass
622.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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
-
Subclass
Flavonoid glycosides
-
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 Flavones 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids Phenolic glycosides O-glucuronides O-glycosyl compounds Chromones Monosaccharide sulfates Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Oxanes Benzene and substituted derivatives Sulfuric acid monoesters Alkyl sulfates Heteroaromatic compounds Vinylogous acids Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
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 - Chromone - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Monosaccharide sulfate - Benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Sulfate-ester - Sulfuric acid monoester - Monocyclic benzene moiety - Monosaccharide - Pyran - Oxane - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Vinylogous acid - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - Organoheterocyclic compound - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - 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