Compound Identification
SMILES
O[C@@H]1C(O)[C@H](OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(OS(O)(=O)=O)C3=O)OC([C@H]1O)C(O)=O
InChIKey
InChIKey=HUZYIABAGFALTN-LFPOBHQBSA-N
Formula
C21H18O17S
Mass
574.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavonoid glycosides
-
Level 5
Flavonoid O-glycosides
-
Level 6
Flavonoid O-glucuronides
- Level 7 Flavonoid-8-O-glucuronides
-
Level 6
Flavonoid O-glucuronides
-
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 3-sulfated flavonoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Phenolic glycosides O-glucuronides Hexoses Chromones O-glycosyl compounds Arylsulfates Catechols 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Sulfuric acid monoesters Benzene and substituted derivatives Oxanes Heteroaromatic compounds Vinylogous acids Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Polyols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-8-o-glucuronide - Flavonoid-8-o-glycoside - 3-sulfated flavonoid - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Flavone - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Glycosyl compound - Chromone - O-glycosyl compound - 1-benzopyran - Benzopyran - Arylsulfate - Catechol - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Oxane - Benzenoid - Hydroxy acid - Sulfuric acid monoester - Sulfate-ester - Monosaccharide - Monocyclic benzene moiety - Sulfuric acid ester - Vinylogous acid - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - Polyol - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Alcohol - 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
LIPIDMAPS (LMPK12113221) : Flavones and Flavonols