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CHEBI:100365 - (2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-(2-fluorophenyl)-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one

ChEBI IDCHEBI:100365
ChEBI Name(2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-(2-fluorophenyl)-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one
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DownloadsMolfile
FormulaC27H26FN3O3
Net Charge0
Average Mass459.521
Monoisotopic Mass459.19582
SMILESO=C([C@H]1N[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]2[C@@H]1CO)N1CCc2ccccc2C1
InChIInChI=1S/C27H26FN3O3/c28-22-8-4-3-7-18(22)19-9-10-23-24-20(14-31(23)26(19)33)21(15-32)25(29-24)27(34)30-12-11-16-5-1-2-6-17(16)13-30/h1-10,20-21,24-25,29,32H,11-15H2/t20-,21-,24+,25-/m0/s1
InChIKeyFZFLVCQZKXFTSN-MHOPESGUSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-(2-fluorophenyl)-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one (CHEBI:100365) is a phenylpyridine (CHEBI:38193)
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