Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(=C1)[C@@H]1[C@H](OC2=C1C(=O)OC1=CC=CC=C21)C(=O)C1=CC=CC=C1

InChIKey

InChIKey=QWJDPNRUKYAWKG-CVDCTZTESA-N

Formula

C24H15NO6

Mass

413.385

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Furanocoumarins

Intermediate Tree Nodes

Not available

Direct Parent

Angular furanocoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Angular furanocoumarin - Alkyl-phenylketone - 1-benzopyran - Benzopyran - Nitrobenzene - Phenylketone - Aryl ketone - Aryl alkyl ketone - Nitroaromatic compound - Benzoyl - Pyranone - Alkyl aryl ether - Pyran - Benzenoid - Monocyclic benzene moiety - Vinylogous ester - Heteroaromatic compound - Ketone - Lactone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic oxoazanium - Ether - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.

External Descriptors

Not available

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