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CHEBI:129079 - cyclopentyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:129079
ChEBI Namecyclopentyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
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DownloadsMolfile
FormulaC25H35N3O5S
Net Charge0
Average Mass489.638
Monoisotopic Mass489.22974
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C25H35N3O5S/c1-26-20-14-18(33-2)8-9-19(20)22-23(26)21(15-29)28(34(3,31)32)16-25(22)10-12-27(13-11-25)24(30)17-6-4-5-7-17/h8-9,14,17,21,29H,4-7,10-13,15-16H2,1-3H3/t21-/m1/s1
InChIKeyUBJYUKMAXHHYHD-OAQYLSRUSA-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)
cyclopentyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:129079) is a harmala alkaloid (CHEBI:61379)
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