Structure Information
Structure

Compound Identification

SMILES

CSCCC(CO)N=C(O)CC1=C(C)C2=C(OC1=O)C=C(C)C1=C2OC=C1C

InChIKey

InChIKey=XATGEUQZUMMYOK-UHFFFAOYSA-N

Formula

C21H25NO5S

Mass

403.49

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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 - Benzopyran - 1-benzopyran - Benzofuran - Pyranone - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Dialkylthioether - Organic 1,3-dipolar compound - Carboximidic acid - Carboximidic acid derivative - Propargyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organic oxide - 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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