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CHEBI:130489 - (1S)-N-(3,5-dimethyl-4-isoxazolyl)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:130489
ChEBI Name(1S)-N-(3,5-dimethyl-4-isoxazolyl)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC23H29N5O6S
Net Charge0
Average Mass503.581
Monoisotopic Mass503.18385
SMILESCCS(=O)(=O)N1CC2(CN(C(=O)Nc3c(C)noc3C)[C@H](CO)c3nc4cc(OC)ccc4c32)C1
InChIInChI=1S/C23H29N5O6S/c1-5-35(31,32)27-10-23(11-27)12-28(22(30)25-20-13(2)26-34-14(20)3)18(9-29)21-19(23)16-7-6-15(33-4)8-17(16)24-21/h6-8,18,24,29H,5,9-12H2,1-4H3,(H,25,30)/t18-/m1/s1
InChIKeyDXDVJROCPRKFRC-GOSISDBHSA-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)-N-(3,5-dimethyl-4-isoxazolyl)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:130489) is a harmala alkaloid (CHEBI:61379)
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