CHEBI:101974 - N-[(1R,3R,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide

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ChEBI Name N-[(1R,3R,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide ChEBI ID CHEBI:101974 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 C28H32N2O8 Net Charge 0 Average Mass 524.563 Monoisotopic Mass 524.21587 InChI InChI=1S/C28H32N2O8/c31-14-25-27-21(20-10-18(2-4-22(20)38-27)30-28(33)17-5-7-34-8-6-17)11-19(37-25)12-26(32)29-13-16-1-3-23-24(9-16)36-15-35-23/h1-4,9-10,17,19,21,25,27,31H,5-8,11-15H2,(H,29,32)(H,30,33)/t19-,21-,25-,27+/m1/s1 InChIKey MOISLORHFJLABX-HXMVMFLPSA-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=CC6=C(C=C5)OCO6 ChEBI Ontology Outgoing N-[(1R,3R,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:101974) is a furopyran (CHEBI:74927) Manual Xref Database LSM-13335 LINCS View more database links