Compound Identification
SMILES
CC1C2CC(C(C3SCCS3)C1=O)C2(C)C
InChIKey
InChIKey=HMBSIVDUNBKZJS-UHFFFAOYSA-N
Formula
C13H20OS2
Mass
256.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Bicyclic monoterpenoids
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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
Dithioacetals 1,3-dithiolanes Cyclic ketones Dialkylthioethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bicyclic monoterpenoid - Pinane monoterpenoid - Thioacetal - Dithiolane - 1,3-dithiolane - Ketone - Cyclic ketone - Organoheterocyclic compound - Dialkylthioether - Thioether - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Aliphatic heteropolycyclic 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