CHEBI:110501 - 2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

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ChEBI Name 2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester ChEBI ID CHEBI:110501 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 C22H23FN2O6 Net Charge 0 Average Mass 430.427 Monoisotopic Mass 430.15401 InChI InChI=1S/C22H23FN2O6/c1-29-20(27)10-13-9-15-14-8-12(6-7-18(14)31-21(15)19(11-26)30-13)24-22(28)25-17-5-3-2-4-16(17)23/h2-8,13,15,19,21,26H,9-11H2,1H3,(H2,24,25,28)/t13-,15+,19-,21-/m0/s1 InChIKey YVFPRJXGACQPOR-FPDBKICDSA-N SMILES COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4F ChEBI Ontology Outgoing 2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:110501) is a ureas (CHEBI:47857) Manual Xref Database LSM-21948 LINCS View more database links