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CHEBI:127279 - [(1S)-7-methoxy-1'-(pyridin-4-ylmethyl)-2-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:127279
ChEBI Name[(1S)-7-methoxy-1'-(pyridin-4-ylmethyl)-2-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC25H27N5O2S
Net Charge0
Average Mass461.591
Monoisotopic Mass461.18855
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(Cc2ccncc2)C1
InChIInChI=1S/C25H27N5O2S/c1-32-18-2-3-19-20(10-18)28-24-21(13-31)30(12-22-27-8-9-33-22)16-25(23(19)24)14-29(15-25)11-17-4-6-26-7-5-17/h2-10,21,28,31H,11-16H2,1H3/t21-/m1/s1
InChIKeyMOEADTRWTJDHBC-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)
[(1S)-7-methoxy-1'-(pyridin-4-ylmethyl)-2-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:127279) is a harmala alkaloid (CHEBI:61379)
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