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CHEBI:127718 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[oxo(2-pyridinyl)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-phenylethanone

ChEBI IDCHEBI:127718
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[oxo(2-pyridinyl)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-phenylethanone
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DownloadsMolfile
FormulaC30H30N4O4
Net Charge0
Average Mass510.594
Monoisotopic Mass510.22671
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C30H30N4O4/c1-32-24-15-21(38-2)11-12-22(24)27-28(32)25(16-35)34(29(37)23-10-6-7-13-31-23)19-30(27)17-33(18-30)26(36)14-20-8-4-3-5-9-20/h3-13,15,25,35H,14,16-19H2,1-2H3/t25-/m1/s1
InChIKeyFOKNZSHLFNLQIL-RUZDIDTESA-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-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[oxo(2-pyridinyl)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-phenylethanone (CHEBI:127718) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39275LINCS