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CHEBI:95453 - 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)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:95453
ChEBI Name2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)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
FormulaC33H38N2O5
Net Charge0
Average Mass542.676
Monoisotopic Mass542.27807
SMILESO=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1
InChIInChI=1S/C33H38N2O5/c36-27-21-35(19-24-10-12-29(13-11-24)39-28-8-2-1-3-9-28)31-15-14-30(40-32(31)23-38-22-27)18-33(37)34-17-16-25-6-4-5-7-26(25)20-34/h1-13,27,30-32,36H,14-23H2/t27-,30-,31-,32+/m1/s1
InChIKeyHJQSQTAMFLANGO-JMSBNOGBSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)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:95453) is a aromatic ether (CHEBI:35618)
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