Compound Identification
SMILES
CCCCCC1(CCCCC)O[C@@H]2C=C(C[C@@H](OC(=O)C3=CC=C(C=C4CCC5O[C@]5(C)CC[C@@H]5[C@@H]4CC5(C)C)C=C3)[C@@H]2O1)C(=O)N[C@H](CO)CCC(=O)OC(C)(C)C
InChIKey
InChIKey=RWRRSDSWDVPCQK-DGFMNQBUSA-N
Formula
C49H73NO9
Mass
820.121
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
Gamma amino acids and derivatives Benzoic acid esters Benzoyl derivatives Fatty acid esters Ketals Dicarboxylic acids and derivatives 1,3-dioxolanes Secondary carboxylic acid amides Carboxylic acid esters Epoxides Dialkyl ethers Oxacyclic compounds Organonitrogen compounds Organopnictogen compounds Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Caryophyllane sesquiterpenoid - Sesquiterpenoid - Gamma amino acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Ketal - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Meta-dioxolane - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - 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