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CHEBI:130971 - [(1S)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:130971
ChEBI Name[(1S)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC26H31N3O6S
Net Charge0
Average Mass513.616
Monoisotopic Mass513.19336
SMILESCCS(=O)(=O)N1CC2(CN(Cc3ccc4c(c3)OCO4)[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1
InChIInChI=1S/C26H31N3O6S/c1-4-36(31,32)29-14-26(15-29)13-28(11-17-5-8-22-23(9-17)35-16-34-22)21(12-30)25-24(26)19-7-6-18(33-3)10-20(19)27(25)2/h5-10,21,30H,4,11-16H2,1-3H3/t21-/m1/s1
InChIKeyPXYBFBFRDGPFAL-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)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:130971) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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