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CHEBI:126641 - [(1S)-2-[(3,5-dimethoxyphenyl)methyl]-7-methoxy-9-methyl-1'-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:126641
ChEBI Name[(1S)-2-[(3,5-dimethoxyphenyl)methyl]-7-methoxy-9-methyl-1'-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC31H39N5O6S
Net Charge0
Average Mass609.749
Monoisotopic Mass609.26210
SMILESCOc1cc(CN2CC3(CCN(S(=O)(=O)c4cn(C)cn4)CC3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)cc(OC)c1
InChIInChI=1S/C31H39N5O6S/c1-33-17-28(32-20-33)43(38,39)36-10-8-31(9-11-36)19-35(16-21-12-23(41-4)14-24(13-21)42-5)27(18-37)30-29(31)25-7-6-22(40-3)15-26(25)34(30)2/h6-7,12-15,17,20,27,37H,8-11,16,18-19H2,1-5H3/t27-/m1/s1
InChIKeyWRIHVNPRMJNQFY-HHHXNRCGSA-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-[(3,5-dimethoxyphenyl)methyl]-7-methoxy-9-methyl-1'-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:126641) is a harmala alkaloid (CHEBI:61379)
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