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CHEBI:126837 - 2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(pyridin-4-yl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:126837
ChEBI Name2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(pyridin-4-yl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC27H33N5O4
Net Charge0
Average Mass491.592
Monoisotopic Mass491.25325
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C27H33N5O4/c1-30(2)15-23(34)32-17-27(8-12-31(13-9-27)26(35)18-6-10-28-11-7-18)24-20-5-4-19(36-3)14-21(20)29-25(24)22(32)16-33/h4-7,10-11,14,22,29,33H,8-9,12-13,15-17H2,1-3H3/t22-/m1/s1
InChIKeySPSGRGLVNIVWRT-JOCHJYFZSA-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)
2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(pyridin-4-yl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:126837) is a harmala alkaloid (CHEBI:61379)
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