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CHEBI:130206 - [(1S)-7-methoxy-2-[(3-methoxyphenyl)methyl]-9-methyl-1'-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:130206
ChEBI Name[(1S)-7-methoxy-2-[(3-methoxyphenyl)methyl]-9-methyl-1'-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC27H35N3O5S
Net Charge0
Average Mass513.660
Monoisotopic Mass513.22974
SMILESCOc1cccc(CN2CC3(CCN(S(C)(=O)=O)CC3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)c1
InChIInChI=1S/C27H35N3O5S/c1-28-23-15-21(35-3)8-9-22(23)25-26(28)24(17-31)29(16-19-6-5-7-20(14-19)34-2)18-27(25)10-12-30(13-11-27)36(4,32)33/h5-9,14-15,24,31H,10-13,16-18H2,1-4H3/t24-/m1/s1
InChIKeyVAFFSZLLIFAKOL-XMMPIXPASA-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)-7-methoxy-2-[(3-methoxyphenyl)methyl]-9-methyl-1'-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:130206) is a harmala alkaloid (CHEBI:61379)
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LSM-41755LINCS