Compound Identification
SMILES
COC1=C(OC)C=C(\C=C2\N=C3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)OC2=O)C([18F])=C1
InChIKey
InChIKey=XQOOTVNMRHKNGV-AGPYTJRMSA-N
Formula
C21H24FNO4
Mass
372.427
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Terpene lactones
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Terpene lactones
Alternative Parents
Alpha amino acids and derivatives Aromatic monoterpenoids Bicyclic monoterpenoids Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Fluorobenzenes 1,4-oxazines Aryl fluorides Enoate esters Ketimines Lactones Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Terpene lactone - Nopinane monoterpenoid - Alpha-amino acid or derivatives - Aromatic monoterpenoid - Monoterpenoid - O-dimethoxybenzene - Dimethoxybenzene - Pinane monoterpenoid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Para-oxazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Ketimine - Carboxylic acid ester - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organofluoride - Imine - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
External Descriptors
Not available