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CHEBI:126851 - [(3aS,4S,9bS)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyridinyl)methanone

ChEBI IDCHEBI:126851
ChEBI Name[(3aS,4S,9bS)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyridinyl)methanone
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DownloadsMolfile
FormulaC18H18BrN3O2
Net Charge0
Average Mass388.265
Monoisotopic Mass387.05824
SMILESO=C(c1ccccn1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@@H]2CO
InChIInChI=1S/C18H18BrN3O2/c19-11-4-5-14-13(9-11)17-12(16(10-23)21-14)6-8-22(17)18(24)15-3-1-2-7-20-15/h1-5,7,9,12,16-17,21,23H,6,8,10H2/t12-,16+,17-/m0/s1
InChIKeyRJOUIUOITMHMDJ-VUCTXSBTSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4S,9bS)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyridinyl)methanone (CHEBI:126851) is a pyrroloquinoline (CHEBI:50918)
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