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CHEBI:131058 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone

ChEBI IDCHEBI:131058
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone
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DownloadsMolfile
FormulaC21H29N3O3
Net Charge0
Average Mass371.481
Monoisotopic Mass371.22089
SMILESCCCC(=O)N1CCC2(CC1)CN[C@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C21H29N3O3/c1-3-4-18(26)24-9-7-21(8-10-24)13-22-17(12-25)20-19(21)15-6-5-14(27-2)11-16(15)23-20/h5-6,11,17,22-23,25H,3-4,7-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeySAXTURHULWJRBV-QGZVFWFLSA-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-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone (CHEBI:131058) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42606LINCS