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CHEBI:127323 - (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(3-methylphenyl)sulfonyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:127323
ChEBI Name(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(3-methylphenyl)sulfonyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC32H35FN4O5S
Net Charge0
Average Mass606.720
Monoisotopic Mass606.23122
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C32H35FN4O5S/c1-21-5-4-6-25(17-21)43(40,41)36-15-13-32(14-16-36)20-37(31(39)34-23-9-7-22(33)8-10-23)28(19-38)30-29(32)26-12-11-24(42-3)18-27(26)35(30)2/h4-12,17-18,28,38H,13-16,19-20H2,1-3H3,(H,34,39)/t28-/m1/s1
InChIKeyRYJJLUIBNDVHBM-MUUNZHRXSA-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)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(3-methylphenyl)sulfonyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:127323) is a harmala alkaloid (CHEBI:61379)
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