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CHEBI:130503 - 2-cyclopropyl-1-[(1R)-2-(2-cyclopropyl-1-oxoethyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:130503
ChEBI Name2-cyclopropyl-1-[(1R)-2-(2-cyclopropyl-1-oxoethyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC27H35N3O4
Net Charge0
Average Mass465.594
Monoisotopic Mass465.26276
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C27H35N3O4/c1-34-19-6-7-20-21(14-19)28-26-22(15-31)30(24(33)13-18-4-5-18)16-27(25(20)26)8-10-29(11-9-27)23(32)12-17-2-3-17/h6-7,14,17-18,22,28,31H,2-5,8-13,15-16H2,1H3/t22-/m0/s1
InChIKeyRXKCHXZGFSIKGE-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)-2-(2-cyclopropyl-1-oxoethyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:130503) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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