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CHEBI:130184 - [(1S)-1'-(cyclohexylmethyl)-7-methoxy-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:130184
ChEBI Name[(1S)-1'-(cyclohexylmethyl)-7-methoxy-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC28H39N5O4S
Net Charge0
Average Mass541.718
Monoisotopic Mass541.27228
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(S(=O)(=O)c1cn(C)cn1)CC31CCN(CC2CCCCC2)CC1
InChIInChI=1S/C28H39N5O4S/c1-31-16-25(29-19-31)38(35,36)33-18-28(10-12-32(13-11-28)15-20-6-4-3-5-7-20)26-22-9-8-21(37-2)14-23(22)30-27(26)24(33)17-34/h8-9,14,16,19-20,24,30,34H,3-7,10-13,15,17-18H2,1-2H3/t24-/m1/s1
InChIKeyNTMCUFBWTOSBGT-XMMPIXPASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
[(1S)-1'-(cyclohexylmethyl)-7-methoxy-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:130184) is a harmala alkaloid (CHEBI:61379)
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