CHEBI:100011 - 2-[(3R,6aR,8R,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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ChEBI Name 2-[(3R,6aR,8R,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 ID CHEBI:100011
Stars This entity has been manually annotated by a third party.
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Formula C23H31FN2O5
Net Charge 0
Average Mass 434.502
Monoisotopic Mass 434.22170
InChI InChI=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+/m1/s1
InChIKey HWBWJNULPIZKLY-NCYKPQTJSA-N
SMILES C1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)C4=CC=C(C=C4)F)O
ChEBI Ontology
Outgoing 2-[(3R,6aR,8R,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:100011) is a carbonyl compound (CHEBI:36586)
2-[(3R,6aR,8R,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:100011) is a organohalogen compound (CHEBI:17792)
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