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CHEBI:117564 - 2-[(1S,3S,4aS,9aR)-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 IDCHEBI:117564
ChEBI Name2-[(1S,3S,4aS,9aR)-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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DownloadsMolfile
FormulaC22H23FN2O6
Net Charge0
Average Mass430.432
Monoisotopic Mass430.15401
SMILESCOC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1
InChIInChI=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
InChIKeyYVFPRJXGACQPOR-QDTKGZOSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-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:117564) is a ureas (CHEBI:47857)
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