Structure Information
Structure

Compound Identification

SMILES

OC1[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC2=C1C=CC(O)=C2)C1=CC(O)=C(O)C=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC=CC=C2C[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1

InChIKey

InChIKey=SGKUXQRESLAJOB-VEKDFDPISA-N

Formula

C44H34O19

Mass

866.737

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Not available

Direct Parent

Leucoanthocyanidins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Leucoanthocyanidin-skeleton - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 4-hydroxyflavonoid - 7-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Biphenol - Galloyl ester - Biphenyl - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Catechol - Benzoyl - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Carboxylic acid ester - Polyol - Oxacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxide - Alcohol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as leucoanthocyanidins. These are flavonoids consisting of a flavan (3,4-dihydro-2-phenyl-2H-1-benzopyran) moiety that carries two hydroxy groups at the C3- and C4-positions.

External Descriptors

Not available

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