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CHEBI:129786 - (2-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(phenylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

ChEBI IDCHEBI:129786
ChEBI Name(2-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(phenylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
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DownloadsMolfile
FormulaC30H30FN3O3
Net Charge0
Average Mass499.586
Monoisotopic Mass499.22712
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C30H30FN3O3/c1-32-25-14-21(37-2)12-13-23(25)27-28(32)26(16-35)33(15-20-8-4-3-5-9-20)17-30(27)18-34(19-30)29(36)22-10-6-7-11-24(22)31/h3-14,26,35H,15-19H2,1-2H3/t26-/m1/s1
InChIKeyXDRXNHRVZRZROT-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)
(2-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(phenylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:129786) is a harmala alkaloid (CHEBI:61379)
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