Compound Identification
SMILES
OC1C(OC2(O)C=C(O)C=C(O)C2(O)C1C1=C(O)C=C(O)C2=C1OC(C(C2)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=WUBWYJOBXHBVFK-UHFFFAOYSA-N
Formula
C37H32O19
Mass
780.644
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
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Level 6
Catechins
- Level 7 Catechin gallates
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Level 6
Catechins
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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
7-hydroxyflavonoids 5-hydroxyflavonoids Lignans, neolignans and related compounds 4'-hydroxyflavonoids 3'-hydroxyflavonoids Galloyl esters m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-benzopyrans Pyrogallols and derivatives Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Monosaccharides Tertiary alcohols Secondary alcohols Hemiacetals Carboxylic acid esters Monocarboxylic acids and derivatives Polyols Enols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin gallate - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Norlignan skeleton - Galloyl ester - Gallic acid or derivatives - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - P-hydroxybenzoic acid alkyl ester - 1-benzopyran - Benzoate ester - Chromane - Benzopyran - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Benzoyl - Catechol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Oxane - Tertiary alcohol - Hemiacetal - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Polyol - Enol - Ether - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Alcohol - Hydrocarbon derivative - 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
Not available