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CHEBI:126726 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(3-pyridinyl)ethanone

ChEBI IDCHEBI:126726
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(3-pyridinyl)ethanone
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DownloadsMolfile
FormulaC24H28N4O3
Net Charge0
Average Mass420.513
Monoisotopic Mass420.21614
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)NCC31CCN(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C24H28N4O3/c1-31-17-4-5-18-19(12-17)27-23-20(14-29)26-15-24(22(18)23)6-9-28(10-7-24)21(30)11-16-3-2-8-25-13-16/h2-5,8,12-13,20,26-27,29H,6-7,9-11,14-15H2,1H3/t20-/m0/s1
InChIKeyNZUADFBIDGBVNA-FQEVSTJZSA-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'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(3-pyridinyl)ethanone (CHEBI:126726) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-38289LINCS