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CHEBI:192671 - Trenbolone acetate

ChEBI IDCHEBI:192671
ChEBI NameTrenbolone acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O3
Net Charge0
Average Mass312.409
Monoisotopic Mass312.17254
SMILES[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3/t17-,18+,19+,20+/m1/s1
InChIKeyCMRJPMODSSEAPL-FYQPLNBISA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
Trenbolone acetate (CHEBI:192671) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Manual XrefsDatabases
D06211KEGG DRUG
59737ChemSpider
Registry NumbersSources
CAS:10161-34-9ChemIDplus