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CHEBI:130970 - [(1S)-2-(cyclopropylmethyl)-7-methoxy-9-methyl-1'-thiophen-2-ylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:130970
ChEBI Name[(1S)-2-(cyclopropylmethyl)-7-methoxy-9-methyl-1'-thiophen-2-ylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
Stars
DownloadsMolfile
FormulaC26H33N3O4S2
Net Charge0
Average Mass515.701
Monoisotopic Mass515.19125
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C26H33N3O4S2/c1-27-21-14-19(33-2)7-8-20(21)24-25(27)22(16-30)28(15-18-5-6-18)17-26(24)9-11-29(12-10-26)35(31,32)23-4-3-13-34-23/h3-4,7-8,13-14,18,22,30H,5-6,9-12,15-17H2,1-2H3/t22-/m1/s1
InChIKeyCUXVMBOQZOKJID-JOCHJYFZSA-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'-thiophen-2-ylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:130970) is a harmala alkaloid (CHEBI:61379)
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LSM-42518LINCS