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CHEBI:230630 - Flugestone

ChEBI IDCHEBI:230630
ChEBI NameFlugestone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29FO4
Net Charge0
Average Mass364.457
Monoisotopic Mass364.20499
SMILESCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChIInChI=1S/C21H29FO4/c1-12(23)20(26)9-7-15-16-5-4-13-10-14(24)6-8-18(13,2)21(16,22)17(25)11-19(15,20)3/h10,15-17,25-26H,4-9,11H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-/m0/s1
InChIKeyOFSXGKOMEGSTSE-BPSSIEEOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
Flugestone (CHEBI:230630) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
(8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-luoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
D07968KEGG DRUG
223326ChemSpider