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CHEBI:130795 - [(3aR,4R,9bR)-8-(1-cyclohexenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:130795
ChEBI Name[(3aR,4R,9bR)-8-(1-cyclohexenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
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DownloadsMolfile
FormulaC22H28N4O3S
Net Charge0
Average Mass428.558
Monoisotopic Mass428.18821
SMILESCn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C5=CCCCC5)cc4[C@@H]32)c1
InChIInChI=1S/C22H28N4O3S/c1-25-12-21(23-14-25)30(28,29)26-10-9-17-20(13-27)24-19-8-7-16(11-18(19)22(17)26)15-5-3-2-4-6-15/h5,7-8,11-12,14,17,20,22,24,27H,2-4,6,9-10,13H2,1H3/t17-,20+,22-/m1/s1
InChIKeyIJCFCLAIFRNZFB-PIPMEXSNSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4R,9bR)-8-(1-cyclohexenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:130795) is a pyrroloquinoline (CHEBI:50918)
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