Compound Identification
SMILES
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]11O[C@@]3(C)COC(=O)C3=C(CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)C4=CC=CC=C4)[C@@H]2OC(C)=O)C1(C)O)N=CC=C3
InChIKey
InChIKey=XQDBHSNYTFRCNJ-MKWYQILGSA-N
Formula
C43H49NO19
Mass
883.853
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Terpene lactones
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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
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Terpene lactones
Alternative Parents
Elemane sesquiterpenoids Agarofurans Benzoic acid esters Pyridinecarboxylic acids Polyhalopyridines Benzoyl derivatives Oxepanes Methylpyridines Hydroxypyridines Fatty acid esters 2-halopyridines Monosaccharides Tetrahydrofurans Tertiary alcohols Heteroaromatic compounds Enoate esters Lactones Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Aldimines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Terpene lactone - Farsesane sesquiterpenoid - Sesquiterpenoid - Elemane sesquiterpenoid - Agarofuran - Benzoate ester - Pyridine carboxylic acid - Benzoic acid or derivatives - Polyhalopyridine - Benzoyl - 2-halopyridine - Methylpyridine - Hydroxypyridine - Oxepane - Fatty acid ester - Fatty acyl - Benzenoid - Pyridine - Monosaccharide - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Lactone - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
External Descriptors
Not available