Compound Identification
SMILES
C[C@H](CCOC1=C(F)C(O)=C(C(O)=O)C(F)=C1F)CCC=C(C)C
InChIKey
InChIKey=PQQUFGMOMVPMJV-JTQLQIEISA-N
Formula
C17H21F3O4
Mass
346.346
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Aromatic monoterpenoids
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Subclass
Monoterpenoids
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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
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Aromatic monoterpenoids
Alternative Parents
2-halobenzoic acids 3-halobenzoic acids Salicylic acids Halobenzoic acids Monocyclic monoterpenoids Benzoic acids 1-carboxy-2-haloaromatic compounds Phenoxy compounds Benzoyl derivatives Phenol ethers M-fluorophenols P-fluorophenols O-fluorophenols Fluorobenzenes Alkyl aryl ethers Aryl fluorides Vinylogous halides Vinylogous acids Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hydroxybenzoic acid - Aromatic monoterpenoid - Monocyclic monoterpenoid - Salicylic acid or derivatives - Salicylic acid - Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - 4-halophenol - 3-halophenol - 2-halophenol - 3-fluorophenol - 2-fluorophenol - 4-fluorophenol - Phenol ether - 1-carboxy-2-haloaromatic compound - Fluorobenzene - Alkyl aryl ether - Halobenzene - Phenol - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl fluoride - Vinylogous acid - Vinylogous halide - Ether - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
External Descriptors
Not available