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CHEBI:126376 - cyclobutyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyridinyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

ChEBI IDCHEBI:126376
ChEBI Namecyclobutyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyridinyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
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DownloadsMolfile
FormulaC26H28N4O4
Net Charge0
Average Mass460.534
Monoisotopic Mass460.21106
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(C(=O)c2ccccn2)C1
InChIInChI=1S/C26H28N4O4/c1-34-17-8-9-18-20(11-17)28-23-21(12-31)30(24(32)16-5-4-6-16)15-26(22(18)23)13-29(14-26)25(33)19-7-2-3-10-27-19/h2-3,7-11,16,21,28,31H,4-6,12-15H2,1H3/t21-/m0/s1
InChIKeyDNTRTSDMDMDTCA-NRFANRHFSA-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)
cyclobutyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyridinyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:126376) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37941LINCS