Compound Identification
SMILES
CCCCCCC(=O)N[C@H]([C@@H](O)C(=O)OC1C[C@@](O)([C@H](C)OC(=O)CCCCC)C(C)(C)C([C@@H](O)C(=O)[C@@]2(C)C[C@@]3(CO[C@@H]3C[C@@H]2O)OC(C)=O)=C1C)C1=CC=CC=C1
InChIKey
InChIKey=IKIMLFAETBINHC-OWWMGTMZSA-N
Formula
C45H67NO13
Mass
830.025
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
Beta amino acids and derivatives Tricarboxylic acids and derivatives Fatty acid esters Acyloins Benzene and substituted derivatives Monosaccharides N-acyl amines Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclofarsesane sesquiterpenoid - Sesquiterpenoid - Beta amino acid or derivatives - Tricarboxylic acid or derivatives - Fatty acid ester - Acyloin - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Monosaccharide - N-acyl-amine - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Oxetane - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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