Compound Identification
SMILES
C[C@@]12C3[C@H](C(=O)OCC(=O)C4=CC=C(Br)C=C4)[C@@]45CC(=C)[C@@](F)(C4)CCC5[C@]3(OC1=O)C=C[C@@H]2F
InChIKey
InChIKey=MRWNEVGIOPMPTE-OXJNOULFSA-N
Formula
C27H25BrF2O5
Mass
547.393
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene lactones
- Level 5 Diterpene lactones
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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
Diterpene lactones
Alternative Parents
C19-gibberellins Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Alpha-acyloxy ketones Bromobenzenes Aryl bromides Gamma butyrolactones Dicarboxylic acids and derivatives Oxolanes Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diterpenoid - Diterpene lactone - 20-norgibberellane diterpenoid - Gibberellin - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Halobenzene - Alpha-acyloxy ketone - Bromobenzene - Aryl bromide - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Lactone - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organobromide - Organofluoride - Alkyl fluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
External Descriptors
Not available