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CHEBI:79451 - 3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one

ChEBI IDCHEBI:79451
ChEBI Name3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC23H31NO3
Net Charge0
Average Mass369.505
Monoisotopic Mass369.23039
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3cc(CN4CCOCC4)c(O)cc3CC[C@@]21[H]
InChIInChI=1S/C23H31NO3/c1-23-7-6-17-18(20(23)4-5-22(23)26)3-2-15-13-21(25)16(12-19(15)17)14-24-8-10-27-11-9-24/h12-13,17-18,20,25H,2-11,14H2,1H3/t17-,18+,20-,23-/m0/s1
InChIKeyFJWJRQPFLAFCSE-KQZHTCIUSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one (CHEBI:79451) is a 3-hydroxy steroid (CHEBI:36834)
Synonym  Source
2-MorpholinomethylestroneKEGG COMPOUND
Manual XrefsDatabases
C14926KEGG COMPOUND