CHEBI:110461 - 2-[(1S,3S,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

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ChEBI Name 2-[(1S,3S,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid ChEBI ID CHEBI:110461 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 C21H21FN2O6 Net Charge 0 Average Mass 416.400 Monoisotopic Mass 416.13836 InChI InChI=1S/C21H21FN2O6/c22-11-1-3-12(4-2-11)23-21(28)24-13-5-6-17-15(7-13)16-8-14(9-19(26)27)29-18(10-25)20(16)30-17/h1-7,14,16,18,20,25H,8-10H2,(H,26,27)(H2,23,24,28)/t14-,16+,18-,20-/m0/s1 InChIKey MPRUPAINZQILBH-HUOQQOJOSA-N SMILES C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)F)CO)CC(=O)O ChEBI Ontology Outgoing 2-[(1S,3S,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:110461) is a ureas (CHEBI:47857) Manual Xref Database LSM-21908 LINCS View more database links