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CHEBI:126552 - 1-[(1R)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-phenylethanone

ChEBI IDCHEBI:126552
ChEBI Name1-[(1R)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-phenylethanone
Stars
DownloadsMolfile
FormulaC33H36FN3O3
Net Charge0
Average Mass541.667
Monoisotopic Mass541.27407
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccc(F)c1)CC31CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C33H36FN3O3/c1-35-28-19-26(40-2)11-12-27(28)31-32(35)29(21-38)37(20-24-9-6-10-25(34)17-24)22-33(31)13-15-36(16-14-33)30(39)18-23-7-4-3-5-8-23/h3-12,17,19,29,38H,13-16,18,20-22H2,1-2H3/t29-/m0/s1
InChIKeyZEYNYJBCOWUZGX-LJAQVGFWSA-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)
1-[(1R)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-phenylethanone (CHEBI:126552) is a harmala alkaloid (CHEBI:61379)
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