Structure Information
Structure

Compound Identification

SMILES

CC(C)(OC(=O)\C=C\C1=CC=C(O)C=C1)[C@@H]1CC2=C3OC(=O)C=CC3=CC=C2O1

InChIKey

InChIKey=YPULLITUOWRRPG-RXERPNITSA-N

Formula

C23H20O6

Mass

392.407

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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 - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Benzopyran - 1-benzopyran - Coumaran - Styrene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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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