Structure Information
Structure

Compound Identification

SMILES

O=P(OC1CC2=C(OCC3=CC=CC=C3)C=C(OCC3=CC=CC=C3)C=C2OC1C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1)(OC1CC2=C(OCC3=CC=CC=C3)C=C(OCC3=CC=CC=C3)C=C2OC1C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1)OC1CC2=C(OCC3=CC=CC=C3)C=C(OCC3=CC=CC=C3)C=C2OC1C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1

InChIKey

InChIKey=MFALJFKRYFIDLV-UHFFFAOYSA-N

Formula

C129H111O19P

Mass

1996.262

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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

Catechin - Flavonoid 3-phosphate - Chromane - Benzopyran - 1-benzopyran - Trialkyl phosphate - Phenol ether - Phenoxy compound - Alkyl aryl ether - Benzenoid - Alkyl phosphate - Monocyclic benzene moiety - Phosphoric acid ester - Organic phosphoric acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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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