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CHEBI:100244 - N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:100244
ChEBI NameN-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
Stars
DownloadsMolfile
FormulaC35H32N2O8
Net Charge0
Average Mass608.647
Monoisotopic Mass608.21587
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C35H32N2O8/c38-19-32-34-28(27-15-23(9-13-29(27)45-34)37-35(40)22-8-12-30-31(14-22)42-20-41-30)16-26(44-32)17-33(39)36-18-21-6-10-25(11-7-21)43-24-4-2-1-3-5-24/h1-15,26,28,32,34,38H,16-20H2,(H,36,39)(H,37,40)/t26-,28-,32+,34+/m1/s1
InChIKeyHZYAIKCNCGBDKG-QHMPLAMHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:100244) is a aromatic ether (CHEBI:35618)
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