CHEBI:100236 - N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide

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ChEBI Name N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide ChEBI ID CHEBI:100236 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H36N2O7 Net Charge 0 Average Mass 572.649 Monoisotopic Mass 572.25225 InChI InChI=1S/C33H36N2O7/c36-20-30-32-28(27-16-23(8-11-29(27)42-32)35-33(38)22-12-14-39-15-13-22)17-26(41-30)18-31(37)34-19-21-6-9-25(10-7-21)40-24-4-2-1-3-5-24/h1-11,16,22,26,28,30,32,36H,12-15,17-20H2,(H,34,37)(H,35,38)/t26-,28+,30+,32-/m1/s1 InChIKey MARYDHBQWVLAFX-XXKKVQIQSA-N SMILES C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6 ChEBI Ontology Outgoing N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:100236) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-11613 LINCS View more database links