Structure Information
Structure

Compound Identification

SMILES

CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1

InChIKey

InChIKey=QMBXLWWJSGIGFK-JBMZIADDSA-N

Formula

C44H50O14

Mass

802.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Flavan-3-ols - Catechins

Direct Parent

Catechin gallates

Alternative Parents

Molecular Framework

Not available

Substituents

Catechin gallate - Epigallocatechin - Steroid ester - Androgen-skeleton - Androstane-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Delta-4-steroid - Hydroxyflavonoid - Steroid - Galloyl ester - Gallic acid or derivatives - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - 1-benzopyran - Benzopyran - Chromane - Benzoate ester - Pyrogallol derivative - Benzoic acid or derivatives - Benzenetriol - Benzoyl - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Cyclohexenone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Cyclic ketone - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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

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