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CHEBI:128193 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone

ChEBI IDCHEBI:128193
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone
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FormulaC21H29N3O4
Net Charge0
Average Mass387.480
Monoisotopic Mass387.21581
SMILESCOCC(=O)N1CCC2(CC1)CN[C@@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C21H29N3O4/c1-23-17-10-14(28-3)4-5-15(17)19-20(23)16(11-25)22-13-21(19)6-8-24(9-7-21)18(26)12-27-2/h4-5,10,16,22,25H,6-9,11-13H2,1-3H3/t16-/m0/s1
InChIKeyAKVLHWMHTBRAST-INIZCTEOSA-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)
1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone (CHEBI:128193) is a harmala alkaloid (CHEBI:61379)
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LSM-39748LINCS