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CHEBI:127435 - (1S)-N1'-(1,3-benzodioxol-5-yl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1',2-dicarboxamide

ChEBI IDCHEBI:127435
ChEBI Name(1S)-N1'-(1,3-benzodioxol-5-yl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1',2-dicarboxamide
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DownloadsMolfile
FormulaC32H32FN5O6
Net Charge0
Average Mass601.635
Monoisotopic Mass601.23366
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C32H32FN5O6/c1-42-22-7-8-23-24(15-22)36-29-25(16-39)38(31(41)34-20-4-2-19(33)3-5-20)17-32(28(23)29)10-12-37(13-11-32)30(40)35-21-6-9-26-27(14-21)44-18-43-26/h2-9,14-15,25,36,39H,10-13,16-18H2,1H3,(H,34,41)(H,35,40)/t25-/m1/s1
InChIKeyHCNINEWJUWGNRJ-RUZDIDTESA-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)-N1'-(1,3-benzodioxol-5-yl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1',2-dicarboxamide (CHEBI:127435) is a harmala alkaloid (CHEBI:61379)
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