Structure Information
Structure

Compound Identification

SMILES

NC1CCC2=C1C(=O)OC1=C2C(O)=CC2=C1C1C=COC1O2

InChIKey

InChIKey=BJIGJWPIPCRQSY-UHFFFAOYSA-N

Formula

C16H13NO5

Mass

299.282

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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

1-benzopyrans Coumarans Pyranones and derivatives Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Dihydrofurans Lactones Oxacyclic compounds Acetals Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Angular furanocoumarin - Benzopyran - 1-benzopyran - Coumaran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Aralkylamine - Pyran - Benzenoid - Dihydrofuran - Heteroaromatic compound - Lactone - Oxacycle - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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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