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CHEBI:130621 - (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(3-pyridinylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:130621
ChEBI Name(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(3-pyridinylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
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DownloadsMolfile
FormulaC30H31FN4O3
Net Charge0
Average Mass514.601
Monoisotopic Mass514.23802
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(Cc2cccnc2)CC1
InChIInChI=1S/C30H31FN4O3/c1-38-23-8-9-24-25(15-23)33-28-26(18-36)35(29(37)21-4-6-22(31)7-5-21)19-30(27(24)28)10-13-34(14-11-30)17-20-3-2-12-32-16-20/h2-9,12,15-16,26,33,36H,10-11,13-14,17-19H2,1H3/t26-/m1/s1
InChIKeyNJZHGYVFXNFUAH-AREMUKBSSA-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)-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(3-pyridinylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:130621) is a harmala alkaloid (CHEBI:61379)
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