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CHEBI:129047 - (4-fluorophenyl)-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-thiophen-2-ylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:129047
ChEBI Name(4-fluorophenyl)-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-thiophen-2-ylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
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DownloadsMolfile
FormulaC28H28FN3O5S2
Net Charge0
Average Mass569.680
Monoisotopic Mass569.14544
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C28H28FN3O5S2/c1-37-20-8-9-21-22(15-20)30-26-23(16-33)32(27(34)18-4-6-19(29)7-5-18)17-28(25(21)26)10-12-31(13-11-28)39(35,36)24-3-2-14-38-24/h2-9,14-15,23,30,33H,10-13,16-17H2,1H3/t23-/m0/s1
InChIKeyLNVBVXFCUCSUCE-QHCPKHFHSA-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)
(4-fluorophenyl)-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-thiophen-2-ylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:129047) is a harmala alkaloid (CHEBI:61379)
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