Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC2=C(OC1=O)C=C1OC=CC1=C2

InChIKey

InChIKey=UGINDUMVOHNCBD-UHFFFAOYSA-N

Formula

C13H8O4

Mass

228.203

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Furanocoumarins

Intermediate Tree Nodes

Linear furanocoumarins

Direct Parent

Psoralens

Alternative Parents

1-benzopyrans Benzofurans Aryl alkyl ketones Pyranones and derivatives Benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Aryl alkyl ketone - Aryl ketone - Pyranone - Benzenoid - Pyran - Furan - Heteroaromatic compound - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.

External Descriptors

Not available

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