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CHEBI:190313 - Tetrahydrogestrinone

ChEBI IDCHEBI:190313
ChEBI NameTetrahydrogestrinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O2
Net Charge0
Average Mass312.453
Monoisotopic Mass312.20893
SMILES[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1
InChIKeyOXHNQTSIKGHVBH-ANULTFPQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Tetrahydrogestrinone (CHEBI:190313) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
17HPDBeChem
5257020ChemSpider
DB06870DrugBank
HMDB0004626HMDB
Registry NumbersSources
CAS:618903-56-3ChemIDplus