Compound Identification
SMILES
O[C@H]1[C@H](OC2=C(O)C=C(O)C3=C2OC(=CC3=O)C2=CC=C(O)C=C2)O[C@@H]([C@@H](O)[C@@H]1OS(O)(=O)=O)C(O)=O
InChIKey
InChIKey=RUJCBFMBNQPWBK-DLSLMLROSA-N
Formula
C21H18O15S
Mass
542.42
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 4'-hydroxyflavonoids 7-hydroxyflavonoids 5-hydroxyflavonoids Phenolic glycosides O-glucuronides Chromones O-glycosyl compounds Pyranones and derivatives Beta hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Alkyl sulfates Benzene and substituted derivatives Sulfuric acid monoesters Oxanes Vinylogous acids Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-8-o-glucuronide - Flavonoid-8-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - O-glycosyl compound - Chromone - Glycosyl compound - Benzopyran - 1-benzopyran - Pyranone - Phenol - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Sulfuric acid monoester - Alkyl sulfate - Pyran - Oxane - Sulfuric acid ester - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Sulfate-ester - Hydroxy acid - Heteroaromatic compound - Vinylogous acid - Organic sulfuric acid or derivatives - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen 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