Compound Identification
SMILES
O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(=O)C2(O)C(=O)C1C1=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=C(O)C(O)=C21
InChIKey
InChIKey=RUFNKJZSFJJLEA-MMSZKOOXSA-N
Formula
C37H28O18
Mass
760.613
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
-
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
3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Galloyl esters Benzotropolones p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Indanones 1-benzopyrans Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Cyclohexenones Tertiary alcohols Secondary alcohols Carboxylic acid esters Oxacyclic compounds Polyols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin gallate - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Benzotropolone - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Indanone - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Indane - Benzoyl - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Ketone - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Alcohol - 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