Compound Identification
SMILES
C[C@H](COC(=O)C1=CC=CC=C1)[C@@H]1CC[C@H](C)[C@@H](CCC=O)[C@H](C)C1=O
InChIKey
InChIKey=OIZKHIYLHIHSID-NDLGOLERSA-N
Formula
C22H30O4
Mass
358.478
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
- Level 5 Pseudoguaianes
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Subclass
Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Pseudoguaianes
Alternative Parents
Benzoic acid esters Benzoyl derivatives Alpha-hydrogen aldehydes Cyclic ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4,5-secopseudoguaiane sesquiterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Alpha-hydrogen aldehyde - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as pseudoguaianes. These are sesquiterpenoids with a structure based on the pseudoguaiane skeleton, which arises by the migration of the a methyl group of the bicyclic guaiane skeleton from the C4 to the C5 position.
External Descriptors
Not available