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CHEBI:129648 - [(3aR,4S,9bR)-1-(2-methylphenyl)sulfonyl-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:129648
ChEBI Name[(3aR,4S,9bR)-1-(2-methylphenyl)sulfonyl-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
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DownloadsMolfile
FormulaC27H26N2O3S
Net Charge0
Average Mass458.583
Monoisotopic Mass458.16641
SMILESCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21
InChIInChI=1S/C27H26N2O3S/c1-19-7-5-6-10-26(19)33(31,32)29-16-15-22-25(18-30)28-24-14-13-21(17-23(24)27(22)29)12-11-20-8-3-2-4-9-20/h2-10,13-14,17,22,25,27-28,30H,15-16,18H2,1H3/t22-,25-,27-/m1/s1
InChIKeyKDGAGFWVUZIURT-AVPJRLCVSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4S,9bR)-1-(2-methylphenyl)sulfonyl-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:129648) is a pyrroloquinoline (CHEBI:50918)
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