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CHEBI:129338 - (1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:129338
ChEBI Name(1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC26H31FN4O5S
Net Charge0
Average Mass530.622
Monoisotopic Mass530.19992
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C26H31FN4O5S/c1-29-21-14-19(36-2)7-8-20(21)23-24(29)22(15-32)31(37(3,34)35)16-26(23)9-11-30(12-10-26)25(33)28-18-6-4-5-17(27)13-18/h4-8,13-14,22,32H,9-12,15-16H2,1-3H3,(H,28,33)/t22-/m0/s1
InChIKeyVETZMPBXASKKIE-QFIPXVFZSA-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)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:129338) is a harmala alkaloid (CHEBI:61379)
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