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CHEBI:102094 - 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone

ChEBI IDCHEBI:102094
ChEBI Name2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone
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DownloadsMolfile
FormulaC27H35N3O5
Net Charge0
Average Mass481.593
Monoisotopic Mass481.25767
SMILESO=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(-c3ccncc3)c2)O1)N1CCOCC1
InChIInChI=1S/C27H35N3O5/c31-23-17-30(16-20-2-1-3-22(14-20)21-6-8-28-9-7-21)25-5-4-24(35-26(25)19-34-18-23)15-27(32)29-10-12-33-13-11-29/h1-3,6-9,14,23-26,31H,4-5,10-13,15-19H2/t23-,24+,25+,26-/m0/s1
InChIKeyVMOCTUISBGPURH-QUMGSSFMSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone (CHEBI:102094) is a phenylpyridine (CHEBI:38193)
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