EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79825 - 3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one

ChEBI IDCHEBI:79825
ChEBI Name3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC19H24O2
Net Charge0
Average Mass284.399
Monoisotopic Mass284.17763
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3c(C)cc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C19H24O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-16,20H,3-8H2,1-2H3/t14-,15+,16+,19+/m1/s1
InChIKeyAIBFRTWVQFOKIS-DRMAHVMPSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one (CHEBI:79825) is a 3-hydroxy steroid (CHEBI:36834)
Synonym  Source
1-MethylestroneKEGG COMPOUND
Manual XrefsDatabases
C15323KEGG COMPOUND