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CHEBI:101320 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

ChEBI IDCHEBI:101320
ChEBI Name2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
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DownloadsMolfile
FormulaC22H24N2O7
Net Charge0
Average Mass428.441
Monoisotopic Mass428.15835
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)O)O[C@@H](CO)[C@@H]2O3)cc1
InChIInChI=1S/C22H24N2O7/c1-29-14-5-2-12(3-6-14)23-22(28)24-13-4-7-18-16(8-13)17-9-15(10-20(26)27)30-19(11-25)21(17)31-18/h2-8,15,17,19,21,25H,9-11H2,1H3,(H,26,27)(H2,23,24,28)/t15-,17+,19+,21-/m1/s1
InChIKeyWGYNXZDTDZWEBG-ZWVMGRIOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:101320) is a ureas (CHEBI:47857)
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