Compound Identification
SMILES
COC(=O)C12CCC(C)(C(=O)C1Br)C2(C)C
InChIKey
InChIKey=PYWSEEVRSGAIKG-UHFFFAOYSA-N
Formula
C12H17BrO3
Mass
289.169
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Bicyclic monoterpenoids
-
Subclass
Monoterpenoids
-
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
Bicyclic monoterpenoids
Alternative Parents
Methyl esters Alpha-haloketones Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bornane monoterpenoid - Bicyclic monoterpenoid - Alpha-haloketone - Methyl ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alkyl bromide - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
External Descriptors
Not available