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CHEBI:125923 - 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

ChEBI IDCHEBI:125923
ChEBI Name2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
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DownloadsMolfile
FormulaC28H36N2O5
Net Charge0
Average Mass480.605
Monoisotopic Mass480.26242
SMILESCOc1ccc(CN2C[C@@H](O)COC[C@H]3O[C@H](CC(=O)N4CCc5ccccc5C4)CC[C@@H]32)cc1
InChIInChI=1S/C28H36N2O5/c1-33-24-8-6-20(7-9-24)15-30-17-23(31)18-34-19-27-26(30)11-10-25(35-27)14-28(32)29-13-12-21-4-2-3-5-22(21)16-29/h2-9,23,25-27,31H,10-19H2,1H3/t23-,25+,26+,27-/m1/s1
InChIKeyMWUVOMKQDMDDFC-GYUKIKGESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CHEBI:125923) is a isoquinolines (CHEBI:24922)
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