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CHEBI:126101 - (3-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

ChEBI IDCHEBI:126101
ChEBI Name(3-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
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FormulaC23H24FN3O3
Net Charge0
Average Mass409.461
Monoisotopic Mass409.18017
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C23H24FN3O3/c1-26-19-9-16(30-2)6-7-17(19)20-21(26)18(10-28)25-11-23(20)12-27(13-23)22(29)14-4-3-5-15(24)8-14/h3-9,18,25,28H,10-13H2,1-2H3/t18-/m1/s1
InChIKeySTBWPYRDRIUAJO-GOSISDBHSA-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)
(3-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:126101) is a harmala alkaloid (CHEBI:61379)
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LSM-37668LINCS