Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1=C(OS(O)(=O)=O)C(=O)C2=C(O)C=C(O)C=C2O1
InChIKey
InChIKey=CZFNXFXZXWDYMZ-UHFFFAOYSA-N
Formula
C16H12O10S
Mass
396.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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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
3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Chromones Methoxyphenols Arylsulfates Methoxybenzenes Anisoles Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Sulfuric acid monoesters Heteroaromatic compounds Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-sulfated flavonoid - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Chromone - Methoxyphenol - 1-benzopyran - Benzopyran - Arylsulfate - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Pyran - Vinylogous acid - Heteroaromatic compound - Organic sulfuric acid or derivatives - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen 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
LIPIDMAPS (LMPK12112396) : Flavones and Flavonols