Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=ALROBKIWYCXNLI-KFWWJZLASA-N

Formula

C15H10ClN3O8

Mass

395.71

Export to:

JSON SDF CSV

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

Previous Back Next