Structure Information
Structure

Compound Identification

SMILES

OC1=CC(O)=C2CC(OP(=O)(OC3CC4=C(O)C=C(O)C=C4OC3C3=CC(O)=C(O)C=C3)OC3CC4=C(O)C=C(O)C=C4OC3C3=CC(O)=C(O)C=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=QPSSZQWWISQYIF-UHFFFAOYSA-N

Formula

C45H39O19P

Mass

914.762

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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

Direct Parent

Catechins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid 3-phosphate - Catechin - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Benzopyran - 1-benzopyran - Chromane - Trialkyl phosphate - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Organic phosphoric acid derivative - Monocyclic benzene moiety - Phosphoric acid ester - Alkyl phosphate - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as catechins. These are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol.

External Descriptors

Not available

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