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CHEBI:100704 - 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

ChEBI IDCHEBI:100704
ChEBI Name2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid
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DownloadsMolfile
FormulaC23H27NO8S
Net Charge0
Average Mass477.535
Monoisotopic Mass477.14574
SMILESO=C(O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2S(=O)(=O)c2ccc(Oc3ccccc3)cc2)O1
InChIInChI=1S/C23H27NO8S/c25-16-13-24(21-11-8-19(12-23(26)27)32-22(21)15-30-14-16)33(28,29)20-9-6-18(7-10-20)31-17-4-2-1-3-5-17/h1-7,9-10,16,19,21-22,25H,8,11-15H2,(H,26,27)/t16-,19-,21+,22-/m1/s1
InChIKeyWUYMKGAOXGWOLL-ZKMOHVOUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid (CHEBI:100704) is a aromatic ether (CHEBI:35618)
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