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CHEBI:129111 - (1S)-1'-[1,3-benzodioxol-5-yl(oxo)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:129111
ChEBI Name(1S)-1'-[1,3-benzodioxol-5-yl(oxo)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC33H33FN4O6
Net Charge0
Average Mass600.647
Monoisotopic Mass600.23841
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C33H33FN4O6/c1-36-25-16-23(42-2)8-9-24(25)29-30(36)26(17-39)38(32(41)35-22-6-4-21(34)5-7-22)18-33(29)11-13-37(14-12-33)31(40)20-3-10-27-28(15-20)44-19-43-27/h3-10,15-16,26,39H,11-14,17-19H2,1-2H3,(H,35,41)/t26-/m1/s1
InChIKeyPDBYEHSJKGAMJS-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)
(1S)-1'-[1,3-benzodioxol-5-yl(oxo)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:129111) is a harmala alkaloid (CHEBI:61379)
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