CHEBI:79598 - 9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione
ChEBI ID CHEBI:79598
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H27FO3
Net Charge 0
Average Mass 346.43570
Monoisotopic Mass 346.19442
InChI InChI=1S/C21H27FO3/c1-12(23)15-6-7-16-17-5-4-13-10-14(24)8-9-20(13,3)21(17,22)18(25)11-19(15,16)2/h6,10,16-18,25H,4-5,7-9,11H2,1-3H3/t16-,17-,18-,19+,20-,21-/m0/s1
InChIKey WHFHAAOGZDECTE-OLGWUGKESA-N
SMILES CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
ChEBI Ontology
Outgoing 9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione (CHEBI:79598) is a 20-oxo steroid (CHEBI:36885)
Manual Xref Database
C15079 KEGG COMPOUND
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