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CHEBI:125844 - 1-[(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(3-pyridinyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]ethanone

ChEBI IDCHEBI:125844
ChEBI Name1-[(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(3-pyridinyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]ethanone
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DownloadsMolfile
FormulaC21H21N3O2
Net Charge0
Average Mass347.418
Monoisotopic Mass347.16338
SMILESCC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@@H]21
InChIInChI=1S/C21H21N3O2/c1-14(26)24-10-8-17-20(13-25)23-19-7-6-15(11-18(19)21(17)24)4-5-16-3-2-9-22-12-16/h2-3,6-7,9,11-12,17,20-21,23,25H,8,10,13H2,1H3/t17-,20-,21-/m1/s1
InChIKeyZFWVHLMUMICASE-DUXKGJEZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(3-pyridinyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]ethanone (CHEBI:125844) is a pyrroloquinoline (CHEBI:50918)
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