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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Sesquiterpenoids
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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
Not available
Direct Parent
Sesquiterpenoids
Alternative Parents
Diphenylmethanes Benzoic acid esters Benzoic acids Benzoyl derivatives Methyl esters Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
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