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CHEBI:128289 - 2-cyclopropyl-1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(3-pyridinylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:128289
ChEBI Name2-cyclopropyl-1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(3-pyridinylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
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DownloadsMolfile
FormulaC26H30N4O3
Net Charge0
Average Mass446.551
Monoisotopic Mass446.23179
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2cccnc2)C1
InChIInChI=1S/C26H30N4O3/c1-33-19-6-7-20-21(10-19)28-25-22(13-31)30(23(32)9-17-4-5-17)16-26(24(20)25)14-29(15-26)12-18-3-2-8-27-11-18/h2-3,6-8,10-11,17,22,28,31H,4-5,9,12-16H2,1H3/t22-/m1/s1
InChIKeyXIJULWMAQMNBMA-JOCHJYFZSA-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)
2-cyclopropyl-1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(3-pyridinylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:128289) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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