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CHEBI:126094 - [(1R)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(3-pyridinyl)methanone

ChEBI IDCHEBI:126094
ChEBI Name[(1R)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(3-pyridinyl)methanone
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DownloadsMolfile
FormulaC22H24N4O5S
Net Charge0
Average Mass456.524
Monoisotopic Mass456.14674
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(S(C)(=O)=O)CC31CN(C(=O)c2cccnc2)C1
InChIInChI=1S/C22H24N4O5S/c1-31-15-5-6-16-17(8-15)24-20-18(10-27)26(32(2,29)30)13-22(19(16)20)11-25(12-22)21(28)14-4-3-7-23-9-14/h3-9,18,24,27H,10-13H2,1-2H3/t18-/m0/s1
InChIKeyLSJSAHPGTKBBIY-SFHVURJKSA-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)
[(1R)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(3-pyridinyl)methanone (CHEBI:126094) is a harmala alkaloid (CHEBI:61379)
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