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CHEBI:167840 - Methyldienolone

ChEBI IDCHEBI:167840
ChEBI NameMethyldienolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O2
Net Charge0
Average Mass286.415
Monoisotopic Mass286.19328
SMILESC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C
InChIInChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,16-17,21H,3-10H2,1-2H3/t16-,17+,18+,19+/m1/s1
InChIKeyRDJBOAMEIJEKEY-XWSJACJDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Methyldienolone (CHEBI:167840) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(8S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
29364987ChemSpider
Registry NumbersSources
CAS:14531-89-6ChemIDplus