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CHEBI:126796 - [(1R)-1'-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-pyridin-4-ylmethanone

ChEBI IDCHEBI:126796
ChEBI Name[(1R)-1'-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-pyridin-4-ylmethanone
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DownloadsMolfile
FormulaC28H34N4O3
Net Charge0
Average Mass474.605
Monoisotopic Mass474.26309
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CCN(CC2CC2)CC1
InChIInChI=1S/C28H34N4O3/c1-30-23-15-21(35-2)5-6-22(23)25-26(30)24(17-33)32(27(34)20-7-11-29-12-8-20)18-28(25)9-13-31(14-10-28)16-19-3-4-19/h5-8,11-12,15,19,24,33H,3-4,9-10,13-14,16-18H2,1-2H3/t24-/m0/s1
InChIKeyMGDQFVBQSWCYMZ-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)
[(1R)-1'-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-pyridin-4-ylmethanone (CHEBI:126796) is a harmala alkaloid (CHEBI:61379)
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