Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@@H](CC(O)=O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C=C1

InChIKey

InChIKey=FCSOHSUDNFXNPU-YMRXKLBXSA-N

Formula

C17H16O7

Mass

332.308

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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

Flavan-3-ols

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Chromane - 1-benzopyran - Benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Polyol - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavan-3-ols. These are flavans that bear and hydroxyl group at position 3 (B ring), but not at position 4.

External Descriptors

LIPIDMAPS (LMPK12020034) : Flavans, Flavanols and Leucoanthocyanidins

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