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CHEBI:128742 - (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(3-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:128742
ChEBI Name(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(3-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC31H33FN4O5S
Net Charge0
Average Mass592.693
Monoisotopic Mass592.21557
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CCN(S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C31H33FN4O5S/c1-20-5-3-8-24(15-20)42(39,40)35-13-11-31(12-14-35)19-36(30(38)33-22-7-4-6-21(32)16-22)27(18-37)29-28(31)25-10-9-23(41-2)17-26(25)34-29/h3-10,15-17,27,34,37H,11-14,18-19H2,1-2H3,(H,33,38)/t27-/m1/s1
InChIKeyLFOOAYMMTLFPQJ-HHHXNRCGSA-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-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(3-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:128742) is a harmala alkaloid (CHEBI:61379)
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