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CHEBI:130900 - [(3aR,4R,9bR)-8-(1-cyclohexenyl)-1-(3-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:130900
ChEBI Name[(3aR,4R,9bR)-8-(1-cyclohexenyl)-1-(3-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
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DownloadsMolfile
FormulaC25H30N2O4S
Net Charge0
Average Mass454.592
Monoisotopic Mass454.19263
SMILESCOc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(C5=CCCCC5)cc4[C@@H]32)c1
InChIInChI=1S/C25H30N2O4S/c1-31-19-8-5-9-20(15-19)32(29,30)27-13-12-21-24(16-28)26-23-11-10-18(14-22(23)25(21)27)17-6-3-2-4-7-17/h5-6,8-11,14-15,21,24-26,28H,2-4,7,12-13,16H2,1H3/t21-,24+,25-/m1/s1
InChIKeyTXVHSCAQDLOUOF-IEZKXTBUSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4R,9bR)-8-(1-cyclohexenyl)-1-(3-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:130900) is a pyrroloquinoline (CHEBI:50918)
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