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CHEBI:127742 - [(1S)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(2-pyrazinyl)methanone

ChEBI IDCHEBI:127742
ChEBI Name[(1S)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(2-pyrazinyl)methanone
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DownloadsMolfile
FormulaC23H27N5O5S
Net Charge0
Average Mass485.566
Monoisotopic Mass485.17329
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)c1cnccn1)CC31CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C23H27N5O5S/c1-33-15-3-4-16-17(11-15)26-21-19(13-29)28(22(30)18-12-24-7-8-25-18)14-23(20(16)21)5-9-27(10-6-23)34(2,31)32/h3-4,7-8,11-12,19,26,29H,5-6,9-10,13-14H2,1-2H3/t19-/m1/s1
InChIKeyCJZRHNNVPHEALW-LJQANCHMSA-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)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(2-pyrazinyl)methanone (CHEBI:127742) is a harmala alkaloid (CHEBI:61379)
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