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CHEBI:130867 - [(1S)-1'-ethylsulfonyl-7-methoxy-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:130867
ChEBI Name[(1S)-1'-ethylsulfonyl-7-methoxy-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
Stars
DownloadsMolfile
FormulaC21H27N5O6S2
Net Charge0
Average Mass509.610
Monoisotopic Mass509.14028
SMILESCCS(=O)(=O)N1CC2(C1)CN(S(=O)(=O)c1cn(C)cn1)[C@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C21H27N5O6S2/c1-4-33(28,29)25-10-21(11-25)12-26(34(30,31)18-8-24(2)13-22-18)17(9-27)20-19(21)15-6-5-14(32-3)7-16(15)23-20/h5-8,13,17,23,27H,4,9-12H2,1-3H3/t17-/m1/s1
InChIKeyJUNBOAZEJBWYHM-QGZVFWFLSA-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)
[(1S)-1'-ethylsulfonyl-7-methoxy-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:130867) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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