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CHEBI:130419 - [(1S)-2-(cyclopropylmethyl)-7-methoxy-9-methyl-1'-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:130419
ChEBI Name[(1S)-2-(cyclopropylmethyl)-7-methoxy-9-methyl-1'-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC24H31N5O4S
Net Charge0
Average Mass485.610
Monoisotopic Mass485.20968
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C24H31N5O4S/c1-26-10-21(25-15-26)34(31,32)29-13-24(14-29)12-28(9-16-4-5-16)20(11-30)23-22(24)18-7-6-17(33-3)8-19(18)27(23)2/h6-8,10,15-16,20,30H,4-5,9,11-14H2,1-3H3/t20-/m1/s1
InChIKeyLLXXDGJIXJGBNX-HXUWFJFHSA-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)-2-(cyclopropylmethyl)-7-methoxy-9-methyl-1'-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:130419) is a harmala alkaloid (CHEBI:61379)
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