Structure Information
Structure

Compound Identification

SMILES

CCCC1=CC(=O)OC2=C3[C@@H](O)[C@@](C)(OC3=CC(OCCN3CCOCC3)=C12)[N+]([O-])=O

InChIKey

InChIKey=QHHKZJGJILYADI-NHCUHLMSSA-N

Formula

C21H26N2O8

Mass

434.445

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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 - Coumaran - Phenol ether - Alkyl aryl ether - Pyranone - Morpholine - Oxazinane - Pyran - Benzenoid - Heteroaromatic compound - Lactone - C-nitro compound - Organic nitro compound - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Dialkyl ether - Ether - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Organic zwitterion - 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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