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CHEBI:130030 - (1S)-2-acetyl-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:130030
ChEBI Name(1S)-2-acetyl-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
Stars
DownloadsMolfile
FormulaC27H31FN4O4
Net Charge0
Average Mass494.567
Monoisotopic Mass494.23293
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C27H31FN4O4/c1-17(34)32-16-27(10-12-31(13-11-27)26(35)29-21-7-5-4-6-20(21)28)24-19-9-8-18(36-3)14-22(19)30(2)25(24)23(32)15-33/h4-9,14,23,33H,10-13,15-16H2,1-3H3,(H,29,35)/t23-/m1/s1
InChIKeyATPMKTNAYRSKDB-HSZRJFAPSA-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)-2-acetyl-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:130030) is a harmala alkaloid (CHEBI:61379)
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