Compound Identification
SMILES
CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=C[C@H]2OCO[C@H]2[C@@H](C1)OC(=O)C1=CC=CC=C1C=C1CCC2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C
InChIKey
InChIKey=QKPYJBVBLXDYBC-LJCRHQFXSA-N
Formula
C39H53NO9
Mass
679.851
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 Dicarboxylic acids and derivatives 1,3-dioxolanes Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Acetals Epoxides Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sesquiterpenoid - Caryophyllane sesquiterpenoid - Gamma amino acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Meta-dioxolane - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Oxirane - Acetal - Dialkyl ether - Primary alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - 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