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CHEBI:129872 - 2-cyclopropyl-1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(2-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:129872
ChEBI Name2-cyclopropyl-1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(2-pyridinylmethyl)-1'-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(Cc1ccccn1)CC31CN(C(=O)CC2CC2)C1
InChIInChI=1S/C26H30N4O3/c1-33-19-7-8-20-21(11-19)28-25-22(13-31)29(12-18-4-2-3-9-27-18)14-26(24(20)25)15-30(16-26)23(32)10-17-5-6-17/h2-4,7-9,11,17,22,28,31H,5-6,10,12-16H2,1H3/t22-/m0/s1
InChIKeyONCARCJPOIEUSJ-QFIPXVFZSA-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-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(2-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:129872) is a harmala alkaloid (CHEBI:61379)
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