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CHEBI:98312 - 2-[(3R,6aR,8R,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-piperidin-1-ylethanone

ChEBI IDCHEBI:98312
ChEBI Name2-[(3R,6aR,8R,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-piperidin-1-ylethanone
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DownloadsMolfile
FormulaC24H34N2O6
Net Charge0
Average Mass446.544
Monoisotopic Mass446.24169
SMILESO=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)N1CCCCC1
InChIInChI=1S/C24H34N2O6/c27-18-13-26(12-17-4-7-21-22(10-17)31-16-30-21)20-6-5-19(32-23(20)15-29-14-18)11-24(28)25-8-2-1-3-9-25/h4,7,10,18-20,23,27H,1-3,5-6,8-9,11-16H2/t18-,19-,20-,23+/m1/s1
InChIKeyTYHBJRPCTKOJBR-URFJDIBFSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8R,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-piperidin-1-ylethanone (CHEBI:98312) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-9691LINCS