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CHEBI:127136 - 2-cyclopropyl-1-[(1R)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:127136
ChEBI Name2-cyclopropyl-1-[(1R)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
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DownloadsMolfile
FormulaC25H33N3O3
Net Charge0
Average Mass423.557
Monoisotopic Mass423.25219
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)CC2CC2)C1
InChIInChI=1S/C25H33N3O3/c1-26-20-10-18(31-2)7-8-19(20)23-24(26)21(12-29)27(11-17-5-6-17)13-25(23)14-28(15-25)22(30)9-16-3-4-16/h7-8,10,16-17,21,29H,3-6,9,11-15H2,1-2H3/t21-/m0/s1
InChIKeyBWIWIZKOACBQIG-NRFANRHFSA-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)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:127136) is a harmala alkaloid (CHEBI:61379)
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