Compound Identification
SMILES
CCCCCC[C@H]1CCC[C@H](OCO1)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@H](C)OC1=O)OC(=O)[C@](OC)(C1=CC=CC=C1)C(F)(F)F
InChIKey
InChIKey=PZUQPQRVFUKUII-QEOIAFPOSA-N
Formula
C48H73F3O9
Mass
851.098
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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Subclass
Fatty alcohols
- Level 5 Annonaceous acetogenins
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Subclass
Fatty alcohols
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Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty alcohols
Intermediate Tree Nodes
Not available
Direct Parent
Annonaceous acetogenins
Alternative Parents
Benzylethers Dicarboxylic acids and derivatives Butenolides Oxolanes Enoate esters Lactones Oxacyclic compounds Dialkyl ethers Acetals Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Annonaceae acetogenin skeleton - Benzylether - Monocyclic benzene moiety - 2-furanone - Dicarboxylic acid or derivatives - Benzenoid - Dihydrofuran - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Acetal - Ether - Alkyl halide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Alkyl fluoride - Organooxygen compound - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain.
External Descriptors
Not available