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CHEBI:130655 - 1-[(1R)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone

ChEBI IDCHEBI:130655
ChEBI Name1-[(1R)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone
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DownloadsMolfile
FormulaC26H30FN3O3
Net Charge0
Average Mass451.542
Monoisotopic Mass451.22712
SMILESCCC(=O)N1CC2(CN(Cc3ccc(F)cc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO
InChIInChI=1S/C26H30FN3O3/c1-4-23(32)30-16-26(14-29(15-26)12-17-5-7-18(27)8-6-17)24-20-10-9-19(33-3)11-21(20)28(2)25(24)22(30)13-31/h5-11,22,31H,4,12-16H2,1-3H3/t22-/m0/s1
InChIKeyFTACQXCIEUQBTI-QFIPXVFZSA-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)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone (CHEBI:130655) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42204LINCS