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CHEBI:128156 - (1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-1'-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:128156
ChEBI Name(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-1'-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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FormulaC26H35N5O3S
Net Charge0
Average Mass497.665
Monoisotopic Mass497.24606
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(Cc2nccs2)CC1
InChIInChI=1S/C26H35N5O3S/c1-17(2)28-25(33)31-16-26(7-10-30(11-8-26)14-22-27-9-12-35-22)23-19-6-5-18(34-4)13-20(19)29(3)24(23)21(31)15-32/h5-6,9,12-13,17,21,32H,7-8,10-11,14-16H2,1-4H3,(H,28,33)/t21-/m1/s1
InChIKeyPPRTXVLQEFGUPH-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)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-1'-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:128156) is a harmala alkaloid (CHEBI:61379)
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