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)(OC(=O)C4=COC=C4)C(=O)O[C@@H]([C@H](OC(=O)C4=CC=CC=C4)[C@@H]2OC(C)=O)[C@]1(C)O)N=CC=C3
InChIKey
InChIKey=RUOCMZOULQONMB-CSQIADDDSA-N
Formula
C48H51NO21
Mass
977.922
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
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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
Agarofurans Benzoic acid esters Furoic acid esters Pyridinecarboxylic acids Furan-3-carboxylic acid esters Benzoyl derivatives Oxepanes Monosaccharides Heteroaromatic compounds Tertiary alcohols Tetrahydrofurans Carboxylic acid esters Lactones Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Terpene lactone - Agarofuran - Sesquiterpenoid - Benzoate ester - Furoic acid ester - Benzoic acid or derivatives - Pyridine carboxylic acid - Furoic acid or derivatives - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Benzoyl - Oxepane - Monocyclic benzene moiety - Pyridine - Monosaccharide - Benzenoid - Tertiary alcohol - Tetrahydrofuran - Furan - Cyclic alcohol - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Oxacycle - Carboxylic acid derivative - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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