Structure Information
Structure

Compound Identification

SMILES

OC(CN1C=NC=N1)(C1=CC=C(C=C1)C(F)(F)F)C1=CC=C(C=C1)C(F)(F)F

InChIKey

InChIKey=BHKONILQQLFTIH-UHFFFAOYSA-N

Formula

C18H13F6N3O

Mass

401.312

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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 heteromonocyclic compounds

Substituents

Sesquiterpenoid - Bisabolane sesquiterpenoid - Diphenylmethane - Trifluoromethylbenzene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Tertiary alcohol - 1,2,4-triazole - Organoheterocyclic compound - Azacycle - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Alkyl fluoride - Aromatic heteromonocyclic 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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