Compound Identification
SMILES
OC1=CC(O)=C2C(=O)C(OS(O)(=O)=O)=C(OC2=C1)C1=CC(OS(O)(=O)=O)=C(O)C=C1
InChIKey
InChIKey=CVENNDDRCHLONB-UHFFFAOYSA-N
Formula
C15H10O13S2
Mass
462.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Sulfated flavonoids
- Level 5 3-sulfated flavonoids
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Subclass
Sulfated flavonoids
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Sulfated flavonoids
Intermediate Tree Nodes
Not available
Direct Parent
3-sulfated flavonoids
Alternative Parents
4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Phenylsulfates Chromones Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Sulfuric acid monoesters Heteroaromatic compounds Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-sulfated flavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Chromone - Phenylsulfate - Arylsulfate - Benzopyran - 1-benzopyran - Phenoxy compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Sulfate-ester - Pyran - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Vinylogous acid - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-sulfated flavonoids. These are flavonoids that are sulfated at the 3-ring position of the flavonoid skeleton.
External Descriptors
CHEBI:17875 :
quercetin bissulfate - trihydroxyflavone
LIPIDMAPS (LMPK12112308) :
Flavones and Flavonols
KEGG (C01155) :
flavonols - Flavones and Flavonols