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CHEBI:127786 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone

ChEBI IDCHEBI:127786
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone
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DownloadsMolfile
FormulaC23H28N4O4S
Net Charge0
Average Mass456.568
Monoisotopic Mass456.18313
SMILESCOCC(=O)N1CC2(C1)CN(Cc1nccs1)[C@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C23H28N4O4S/c1-25-17-8-15(31-3)4-5-16(17)21-22(25)18(10-28)26(9-19-24-6-7-32-19)12-23(21)13-27(14-23)20(29)11-30-2/h4-8,18,28H,9-14H2,1-3H3/t18-/m1/s1
InChIKeyATQFYPXUBHFLNM-GOSISDBHSA-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-2-(2-thiazolylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone (CHEBI:127786) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39342LINCS