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CHEBI:129045 - [(1S)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:129045
ChEBI Name[(1S)-2-(1,3-benzodioxol-5-ylmethyl)-1'-ethylsulfonyl-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC25H29N3O6S
Net Charge0
Average Mass499.589
Monoisotopic Mass499.17771
SMILESCCS(=O)(=O)N1CC2(CN(Cc3ccc4c(c3)OCO4)[C@H](CO)c3nc4cc(OC)ccc4c32)C1
InChIInChI=1S/C25H29N3O6S/c1-3-35(30,31)28-13-25(14-28)12-27(10-16-4-7-21-22(8-16)34-15-33-21)20(11-29)24-23(25)18-6-5-17(32-2)9-19(18)26-24/h4-9,20,26,29H,3,10-15H2,1-2H3/t20-/m1/s1
InChIKeyFTLTXKHDMSAZSH-HXUWFJFHSA-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-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:129045) is a harmala alkaloid (CHEBI:61379)
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