Compound Identification
SMILES
COC(=O)C1C2C3C4C(Br)C3C3C4C2OC(=O)C13
InChIKey
InChIKey=YKIUWUAEOMWKBN-UHFFFAOYSA-N
Formula
C13H13BrO4
Mass
313.147
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Terpene lactones
-
Class
Prenol lipids
-
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
Monoterpenoids Delta valerolactones Oxanes Dicarboxylic acids and derivatives Methyl esters Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Terpene lactone - Norbornane monoterpenoid - Monoterpenoid - Delta valerolactone - Delta_valerolactone - Dicarboxylic acid or derivatives - Oxane - Methyl ester - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organobromide - Organohalogen compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Organooxygen compound - Aliphatic 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