Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C=C(C=C1)C(C1=CC(C(O)=O)=C(C=C1)C(O)=O)(C(F)(F)F)C(F)(F)F)C(=O)OC

InChIKey

InChIKey=PMIUYQMWPLAFAK-UHFFFAOYSA-N

Formula

C21H14F6O8

Mass

508.325

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Sesquiterpenoid - Bisabolane sesquiterpenoid - Diphenylmethane - Benzoate ester - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organooxygen compound - Organic oxygen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

External Descriptors

Not available

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