Compound Identification
SMILES
O[C@@H]1[C@@H](O)C(OC2=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OS(O)(=O)=O)C3=O)=CC(O)=C2)O[C@@H]([C@H]1O)C(O)=O
InChIKey
InChIKey=MUNIKFQDCPCQCR-MBIBTLSJSA-N
Formula
C21H18O16S
Mass
558.42
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
- 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
Direct Parent
Flavonoid O-glucuronides
Alternative Parents
3-sulfated flavonoids Flavones 7-hydroxyflavonoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids Phenolic glycosides O-glucuronides Hexoses Chromones O-glycosyl compounds Arylsulfates Catechols Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Sulfuric acid monoesters Benzene and substituted derivatives Oxanes Vinylogous esters Heteroaromatic compounds Secondary alcohols Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-5-o-glucuronide - 3-sulfated flavonoid - Hydroxyflavonoid - 3'-hydroxyflavonoid - Flavone - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Arylsulfate - Benzopyran - Catechol - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - Pyran - Monocyclic benzene moiety - Oxane - Benzenoid - Hydroxy acid - Sulfuric acid ester - Monosaccharide - Sulfate-ester - Sulfuric acid monoester - Vinylogous ester - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Polyol - Acetal - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid.
External Descriptors
Not available