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

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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
ChEBI ID CHEBI:100365
Stars This entity has been manually annotated by a third party.
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Formula C27H26FN3O3
Net Charge 0
Average Mass 459.513
Monoisotopic Mass 459.19582
InChI InChI=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
InChIKey FZFLVCQZKXFTSN-MHOPESGUSA-N
SMILES C1CN(CC2=CC=CC=C21)C(=O)[C@@H]3[C@H]([C@@H]4CN5C(=CC=C(C5=O)C6=CC=CC=C6F)[C@@H]4N3)CO
ChEBI Ontology
Outgoing (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)
Manual Xref Database
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