Compound Identification
SMILES
CCCCCC(C1C(CCC11OCCO1)\C=C\C(=O)CCCCC)C(O)=O
InChIKey
InChIKey=QMWZFIRTVFSKRB-VAWYXSNFSA-N
Formula
C22H36O5
Mass
380.525
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
Medium-chain fatty acids Methyl-branched fatty acids Ketals Heterocyclic fatty acids Enones Acryloyl compounds 1,3-dioxolanes Ketones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
11-noriridane monoterpenoid - Medium-chain fatty acid - Ketal - Branched fatty acid - Heterocyclic fatty acid - Methyl-branched fatty acid - Fatty acyl - Meta-dioxolane - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic oxide - Aldehyde - Organooxygen compound - Hydrocarbon derivative - 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