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CHEBI:128385 - [(3aR,4R,9bR)-4-(hydroxymethyl)-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone

ChEBI IDCHEBI:128385
ChEBI Name[(3aR,4R,9bR)-4-(hydroxymethyl)-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
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DownloadsMolfile
FormulaC27H23FN2O2
Net Charge0
Average Mass426.491
Monoisotopic Mass426.17436
SMILESO=C(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21
InChIInChI=1S/C27H23FN2O2/c28-21-8-4-7-20(16-21)27(32)30-14-13-22-25(17-31)29-24-12-11-19(15-23(24)26(22)30)10-9-18-5-2-1-3-6-18/h1-8,11-12,15-16,22,25-26,29,31H,13-14,17H2/t22-,25+,26-/m1/s1
InChIKeyWSXIZKFWEUHZCR-ZSQFBXSQSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4R,9bR)-4-(hydroxymethyl)-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone (CHEBI:128385) is a pyrroloquinoline (CHEBI:50918)
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