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CHEBI:125789 - (1R)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:125789
ChEBI Name(1R)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC28H36N4O5S
Net Charge0
Average Mass540.686
Monoisotopic Mass540.24064
SMILESCCCNC(=O)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO
InChIInChI=1S/C28H36N4O5S/c1-4-14-29-27(34)32-19-28(12-15-31(16-13-28)38(35,36)21-8-6-5-7-9-21)25-22-11-10-20(37-3)17-23(22)30(2)26(25)24(32)18-33/h5-11,17,24,33H,4,12-16,18-19H2,1-3H3,(H,29,34)/t24-/m0/s1
InChIKeyMKPFNOFVGQTMAY-DEOSSOPVSA-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)
(1R)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:125789) is a harmala alkaloid (CHEBI:61379)
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