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CHEBI:127738 - 2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(4-oxanylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:127738
ChEBI Name2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(4-oxanylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC28H42N4O4
Net Charge0
Average Mass498.668
Monoisotopic Mass498.32061
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCOCC1)CC31CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C28H42N4O4/c1-29(2)17-25(34)31-11-9-28(10-12-31)19-32(16-20-7-13-36-14-8-20)24(18-33)27-26(28)22-6-5-21(35-4)15-23(22)30(27)3/h5-6,15,20,24,33H,7-14,16-19H2,1-4H3/t24-/m0/s1
InChIKeyYSVODDHIUQNYBN-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)
2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(4-oxanylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:127738) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39295LINCS