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CHEBI:130120 - [(1S)-2-[(4-chlorophenyl)methyl]-1'-(cyclopropylmethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:130120
ChEBI Name[(1S)-2-[(4-chlorophenyl)methyl]-1'-(cyclopropylmethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
Stars
DownloadsMolfile
FormulaC29H36ClN3O2
Net Charge0
Average Mass494.079
Monoisotopic Mass493.24961
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccc(Cl)cc1)CC31CCN(CC2CC2)CC1
InChIInChI=1S/C29H36ClN3O2/c1-31-25-15-23(35-2)9-10-24(25)27-28(31)26(18-34)33(17-21-5-7-22(30)8-6-21)19-29(27)11-13-32(14-12-29)16-20-3-4-20/h5-10,15,20,26,34H,3-4,11-14,16-19H2,1-2H3/t26-/m1/s1
InChIKeyZDPJGKQIQRRUQL-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)-2-[(4-chlorophenyl)methyl]-1'-(cyclopropylmethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:130120) is a harmala alkaloid (CHEBI:61379)
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