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CHEBI:128101 - 1-[(1S)-2-[(3,5-dimethoxyphenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone

ChEBI IDCHEBI:128101
ChEBI Name1-[(1S)-2-[(3,5-dimethoxyphenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone
Stars
DownloadsMolfile
FormulaC31H40N4O6
Net Charge0
Average Mass564.683
Monoisotopic Mass564.29478
SMILESCOc1cc(CN2CC3(CN(C(=O)CN4CCOCC4)C3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)cc(OC)c1
InChIInChI=1S/C31H40N4O6/c1-32-26-14-22(38-2)5-6-25(26)29-30(32)27(17-36)34(15-21-11-23(39-3)13-24(12-21)40-4)18-31(29)19-35(20-31)28(37)16-33-7-9-41-10-8-33/h5-6,11-14,27,36H,7-10,15-20H2,1-4H3/t27-/m1/s1
InChIKeySKQWQCBKHSETNS-HHHXNRCGSA-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)-2-[(3,5-dimethoxyphenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone (CHEBI:128101) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39657LINCS