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CHEBI:127216 - cyclobutyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

ChEBI IDCHEBI:127216
ChEBI Namecyclobutyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
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DownloadsMolfile
FormulaC21H27N3O5S
Net Charge0
Average Mass433.530
Monoisotopic Mass433.16714
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(S(C)(=O)=O)C1
InChIInChI=1S/C21H27N3O5S/c1-29-14-6-7-15-16(8-14)22-19-17(9-25)24(20(26)13-4-3-5-13)12-21(18(15)19)10-23(11-21)30(2,27)28/h6-8,13,17,22,25H,3-5,9-12H2,1-2H3/t17-/m0/s1
InChIKeyGSHVRPGKGLBQJS-KRWDZBQOSA-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'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:127216) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-38776LINCS