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CHEBI:101303 - (2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-1-methyl-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one

ChEBI IDCHEBI:101303
ChEBI Name(2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-1-methyl-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
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DownloadsMolfile
FormulaC28H29N3O3
Net Charge0
Average Mass455.558
Monoisotopic Mass455.22089
SMILESCN1[C@H](C(=O)N2CCc3ccccc3C2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21
InChIInChI=1S/C28H29N3O3/c1-29-25-22(16-31-24(25)12-11-21(27(31)33)19-8-3-2-4-9-19)23(17-32)26(29)28(34)30-14-13-18-7-5-6-10-20(18)15-30/h2-12,22-23,25-26,32H,13-17H2,1H3/t22-,23-,25+,26-/m0/s1
InChIKeyYSTNLTHHZDJVRS-LJCOXQHRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-1-methyl-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one (CHEBI:101303) is a phenylpyridine (CHEBI:38193)
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