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CHEBI:129615 - 1-[(1R)-1'-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone

ChEBI IDCHEBI:129615
ChEBI Name1-[(1R)-1'-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone
Stars
DownloadsMolfile
FormulaC28H34ClN3O3
Net Charge0
Average Mass496.051
Monoisotopic Mass495.22887
SMILESCCC(=O)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO
InChIInChI=1S/C28H34ClN3O3/c1-4-25(34)32-18-28(11-13-31(14-12-28)16-19-5-7-20(29)8-6-19)26-22-10-9-21(35-3)15-23(22)30(2)27(26)24(32)17-33/h5-10,15,24,33H,4,11-14,16-18H2,1-3H3/t24-/m0/s1
InChIKeyXDANQGKQJDFUGD-DEOSSOPVSA-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-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone (CHEBI:129615) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41166LINCS