Compound Identification
SMILES
OC(=O)C(F)(F)[C@]12O[C@@H]3[C@H]4[C@@H]5[C@H]([C@@H]14)[C@H]1C[C@@H]5[C@@H]3[C@@H]21
InChIKey
InChIKey=HTTSLVFOIBKDFR-KTECENLISA-N
Formula
C13H12F2O3
Mass
254.233
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
-
Level 5
Triquinane sesquiterpenoids
- Level 6 Linear triquinanes
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Level 5
Triquinane sesquiterpenoids
-
Subclass
Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Triquinane sesquiterpenoids
Direct Parent
Linear triquinanes
Alternative Parents
Oxepanes Oxolanes Alpha-halocarboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Linear triquinane sesquiterpenoid - Oxepane - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Oxolane - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear triquinanes. These are triquinane with a structure based on a [6.3.0.0^2,6] undecane carbon skeleton.
External Descriptors
Not available