Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC(=O)OC2=C1C1=CC=CC=C1C1=C2[C@@H](OC(=O)C2=CC(Cl)=CC=C2)[C@H](O)C(C)(C)O1

InChIKey

InChIKey=ALUHVYZHOZSXGB-RPBOFIJWSA-N

Formula

C28H23ClO8

Mass

522.93

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Pyranocoumarins

Intermediate Tree Nodes

Not available

Direct Parent

Angular pyranocoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Angular pyranocoumarin - Naphthopyran - Pyranochromene - 2,2-dimethyl-1-benzopyran - Benzoate ester - Chromane - Benzopyran - Naphthalene - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Benzenoid - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Lactone - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.

External Descriptors

Not available

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