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CHEBI:98963 - 2-[(3S,6aR,8S,10aR)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone

ChEBI IDCHEBI:98963
ChEBI Name2-[(3S,6aR,8S,10aR)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone
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DownloadsMolfile
FormulaC23H31FN2O5
Net Charge0
Average Mass434.508
Monoisotopic Mass434.22170
SMILESO=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccc(F)cc2)O1)N1CCCCC1
InChIInChI=1S/C23H31FN2O5/c24-17-6-4-16(5-7-17)23(29)26-13-18(27)14-30-15-21-20(26)9-8-19(31-21)12-22(28)25-10-2-1-3-11-25/h4-7,18-21,27H,1-3,8-15H2/t18-,19-,20+,21-/m0/s1
InChIKeyHWBWJNULPIZKLY-BURNTYAHSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aR,8S,10aR)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone (CHEBI:98963) is a carbonyl compound (CHEBI:36586)
2-[(3S,6aR,8S,10aR)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone (CHEBI:98963) is a organohalogen compound (CHEBI:17792)
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