Compound Identification
SMILES
O[C@@]12COC3OCC[C@@H](CC1Cl)[C@@H]23
InChIKey
InChIKey=HYLRQTWCGVZFFU-IOXKEGPVSA-N
Formula
C9H13ClO3
Mass
204.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
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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
Iridoids and derivatives
Alternative Parents
Furopyrans Pyrans Oxanes Tetrahydrofurans Tertiary alcohols Furans Cyclic alcohols and derivatives Chlorohydrins Oxacyclic compounds Acetals Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Iridoid-skeleton - Furopyran - Pyran - Oxane - Tetrahydrofuran - Tertiary alcohol - Furan - Cyclic alcohol - Halohydrin - Chlorohydrin - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.
External Descriptors
Not available