Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(OC3OC(C(O)C(O)C3OS([O-])(=O)=O)C(O)=O)=C2O1
InChIKey
InChIKey=XRHYTEAKTRSKAB-UHFFFAOYSA-M
Formula
C22H19O15S
Mass
555.44
Taxonomic Classification
Taxonomy Tree
-
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 4'-O-methylated flavonoids Flavones 7-hydroxyflavonoids 5-hydroxyflavonoids Phenolic glycosides O-glucuronides Hexoses O-glycosyl compounds Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Beta hydroxy acids and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Oxanes Alkyl sulfates Vinylogous acids Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-8-o-glucuronide - Flavonoid-8-o-glycoside - 4p-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Chromone - 1-benzopyran - Benzopyran - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Beta-hydroxy acid - Alkyl aryl ether - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Pyran - Oxane - Monosaccharide - Hydroxy acid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Organic sulfuric acid or derivatives - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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