Compound Identification
SMILES
OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(OS(O)(=O)=O)C(O)=C1
InChIKey
InChIKey=JSIAMLSSHVWUIZ-UYAOXDASSA-N
Formula
C22H18O14S
Mass
538.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
-
Level 6
Catechins
- Level 7 Catechin gallates
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Level 6
Catechins
-
Level 5
Flavan-3-ols
-
Subclass
Flavans
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Flavan-3-ols - Catechins
Direct Parent
Catechin gallates
Alternative Parents
Epigallocatechins 5-hydroxyflavonoids 7-hydroxyflavonoids 3'-hydroxyflavonoids Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Phenylsulfates 1-benzopyrans Pyrogallols and derivatives Resorcinols Phenoxy compounds Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Sulfuric acid monoesters Carboxylic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin gallate - Epigallocatechin - Hydroxyflavonoid - 3'-hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - Phenylsulfate - P-hydroxybenzoic acid ester - M-hydroxybenzoic acid ester - Arylsulfate - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Phenoxy compound - Benzoyl - Resorcinol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Sulfuric acid monoester - Monocyclic benzene moiety - Sulfate-ester - Benzenoid - Sulfuric acid ester - Organic sulfuric acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Polyol - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin.
External Descriptors
Not available