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CHEBI:130870 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(3-pyridinylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone

ChEBI IDCHEBI:130870
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(3-pyridinylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone
Stars
DownloadsMolfile
FormulaC27H34N4O4
Net Charge0
Average Mass478.593
Monoisotopic Mass478.25801
SMILESCOCC(=O)N1CC2(CCN(Cc3cccnc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO
InChIInChI=1S/C27H34N4O4/c1-29-22-13-20(35-3)6-7-21(22)25-26(29)23(16-32)31(24(33)17-34-2)18-27(25)8-11-30(12-9-27)15-19-5-4-10-28-14-19/h4-7,10,13-14,23,32H,8-9,11-12,15-18H2,1-3H3/t23-/m1/s1
InChIKeyIWOCERDKTBEBEC-HSZRJFAPSA-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-9-methyl-1'-(3-pyridinylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone (CHEBI:130870) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42419LINCS