Compound Identification
SMILES
[H][C@]1(OOC(=O)C2=CC(Cl)=CC=C2)O[C@@]2([H])C(=O)[C@@]3(C)C(=C)CC[C@@]3([H])[C@@]1([H])[C@]2([H])C(C)C
InChIKey
InChIKey=AWUXOGSRCCVLMV-QNXQDRBBSA-N
Formula
C22H25ClO5
Mass
404.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Sesquiterpenoids
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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
Sesquiterpenoids
Alternative Parents
3-halobenzoic acids and derivatives Peroxybenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Oxepanes Aryl chlorides Tetrahydrofurans Peroxycarboxylic acids and derivatives Ketones Carboxylic acid salts Monocarboxylic acids and derivatives Oxacyclic compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sesquiterpenoid - Peroxybenzoate - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Oxepane - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Tetrahydrofuran - Peroxycarboxylic acid or derivatives - Carboxylic acid salt - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic salt - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors
Not available