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CHEBI:128092 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-[(2-methoxyphenyl)methyl]-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:128092
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-[(2-methoxyphenyl)methyl]-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC28H35N3O4
Net Charge0
Average Mass477.605
Monoisotopic Mass477.26276
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C28H35N3O4/c1-19(33)31-18-28(11-13-30(14-12-28)16-20-7-5-6-8-25(20)35-4)26-22-10-9-21(34-3)15-23(22)29(2)27(26)24(31)17-32/h5-10,15,24,32H,11-14,16-18H2,1-4H3/t24-/m0/s1
InChIKeyNQEZVMQIEYGDLX-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-(hydroxymethyl)-7-methoxy-1'-[(2-methoxyphenyl)methyl]-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:128092) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39648LINCS