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CHEBI:130769 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone

ChEBI IDCHEBI:130769
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone
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DownloadsMolfile
FormulaC19H25N3O6S
Net Charge0
Average Mass423.491
Monoisotopic Mass423.14641
SMILESCOCC(=O)N1CC2(C1)CN(S(C)(=O)=O)[C@@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C19H25N3O6S/c1-27-8-16(24)21-9-19(10-21)11-22(29(3,25)26)15(7-23)18-17(19)13-5-4-12(28-2)6-14(13)20-18/h4-6,15,20,23H,7-11H2,1-3H3/t15-/m0/s1
InChIKeyFDAMVFKBRUGOGM-HNNXBMFYSA-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-2-methylsulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone (CHEBI:130769) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42318LINCS