Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1C2=C(O[C@H](C3=CC=CC=C3)[C@@]1(Cl)[N+]([O-])=O)C=CC(=C2)[N+]([O-])=O

InChIKey

InChIKey=IIBNEOSPPDMUFU-KFWWJZLASA-N

Formula

C15H11ClN2O6

Mass

350.71

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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-4-ols

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-hydroxyflavonoid - Hydroxyflavonoid - Flavan-4-ol - Chromane - Benzopyran - 1-benzopyran - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Halohydrin - Secondary alcohol - Chlorohydrin - Allyl-type 1,3-dipolar organic compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl chloride - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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