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CHEBI:117309 - N-[(1S,3S,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:117309
ChEBI NameN-[(1S,3S,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
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DownloadsMolfile
FormulaC29H27ClN2O7
Net Charge0
Average Mass550.995
Monoisotopic Mass550.15068
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1
InChIInChI=1S/C29H27ClN2O7/c30-18-4-1-16(2-5-18)13-31-27(34)12-20-11-22-21-10-19(6-8-23(21)39-28(22)26(14-33)38-20)32-29(35)17-3-7-24-25(9-17)37-15-36-24/h1-10,20,22,26,28,33H,11-15H2,(H,31,34)(H,32,35)/t20-,22-,26-,28+/m0/s1
InChIKeyCZQHDZKSVGPVAK-UCAWGOPWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3S,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:117309) is a furopyran (CHEBI:74927)
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