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CHEBI:129154 - [(1R)-2-(cyclopropylmethyl)-1'-(3-fluorophenyl)sulfonyl-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:129154
ChEBI Name[(1R)-2-(cyclopropylmethyl)-1'-(3-fluorophenyl)sulfonyl-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC27H32FN3O4S
Net Charge0
Average Mass513.635
Monoisotopic Mass513.20976
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(CC1CC1)CC31CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C27H32FN3O4S/c1-35-20-7-8-22-23(14-20)29-26-24(16-32)30(15-18-5-6-18)17-27(25(22)26)9-11-31(12-10-27)36(33,34)21-4-2-3-19(28)13-21/h2-4,7-8,13-14,18,24,29,32H,5-6,9-12,15-17H2,1H3/t24-/m0/s1
InChIKeyYAWIBLDCIUIQAK-DEOSSOPVSA-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)
[(1R)-2-(cyclopropylmethyl)-1'-(3-fluorophenyl)sulfonyl-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:129154) is a harmala alkaloid (CHEBI:61379)
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