Compound Identification
SMILES
O[C@H]1CC2=C(O)C=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2O[C@@H]1C1=CC(O)=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1
InChIKey
InChIKey=DALCFFHLKBFKBK-BKMJKUGQSA-N
Formula
C29H22O15
Mass
610.48
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
Hydrolyzable tannins Epigallocatechins 3-hydroxyflavonoids 5-hydroxyflavonoids 3'-hydroxyflavonoids Depsides and depsidones Galloyl esters p-Hydroxybenzoic acid esters m-Hydroxybenzoic acid esters 1-benzopyrans Phenol esters Pyrogallols and derivatives Phenoxy compounds Benzoyl derivatives Resorcinols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin gallate - Hydrolyzable tannin - Epigallocatechin - Depside backbone - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Tannin - Galloyl ester - Gallic acid or derivatives - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - 1-benzopyran - Benzoate ester - Phenol ester - Chromane - Benzopyran - Benzenetriol - Pyrogallol derivative - Benzoic acid or derivatives - Phenoxy compound - Resorcinol - Benzoyl - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Oxacycle - Ether - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic oxygen 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
LIPIDMAPS (LMPK12020130) : Flavans, Flavanols and Leucoanthocyanidins