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CHEBI:122855 - 2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

ChEBI IDCHEBI:122855
ChEBI Name2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
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DownloadsMolfile
FormulaC21H22N2O6
Net Charge0
Average Mass398.415
Monoisotopic Mass398.14779
SMILESO=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1
InChIInChI=1S/C21H22N2O6/c24-11-18-20-16(9-14(28-18)10-19(25)26)15-8-13(6-7-17(15)29-20)23-21(27)22-12-4-2-1-3-5-12/h1-8,14,16,18,20,24H,9-11H2,(H,25,26)(H2,22,23,27)/t14-,16+,18-,20-/m0/s1
InChIKeyVBPXJTQPFOPDPZ-HUOQQOJOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:122855) is a ureas (CHEBI:47857)
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