Structure Information
Structure

Compound Identification

SMILES

CCCC1CC2=C(C(=O)C3=C(C=CC=C3OC)C2=O)C(O)(O1)C(F)(F)F

InChIKey

InChIKey=OKZYJSUWVUTXSS-UHFFFAOYSA-N

Formula

C18H17F3O5

Mass

370.324

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isochromanequinones

Subclass

Benzoisochromanequinones

Intermediate Tree Nodes

Not available

Direct Parent

Benzoisochromanequinones

Alternative Parents

Naphthopyranones Naphthoquinones Quinones Aryl ketones Anisoles Pyranones and derivatives Alkyl aryl ethers Hemiacetals Fluorohydrins Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoisochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Naphthalene - Anisole - Phenol ether - Quinone - Aryl ketone - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Fluorohydrin - Halohydrin - Ketone - Hemiacetal - Ether - Organoheterocyclic compound - Oxacycle - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organofluoride - Alkyl halide - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoisochromanequinones. These are benzo derivatives of isochromanequinones. Isochromanequinones are structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton.

External Descriptors

Not available

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