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CHEBI:127049 - 1-[(1R)-1'-acetyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone

ChEBI IDCHEBI:127049
ChEBI Name1-[(1R)-1'-acetyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone
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DownloadsMolfile
FormulaC20H25N3O4
Net Charge0
Average Mass371.437
Monoisotopic Mass371.18451
SMILESCCC(=O)N1CC2(CN(C(C)=O)C2)c2c(nc3cc(OC)ccc23)[C@@H]1CO
InChIInChI=1S/C20H25N3O4/c1-4-17(26)23-11-20(9-22(10-20)12(2)25)18-14-6-5-13(27-3)7-15(14)21-19(18)16(23)8-24/h5-7,16,21,24H,4,8-11H2,1-3H3/t16-/m0/s1
InChIKeySIOVSAKWBBHVEW-INIZCTEOSA-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'-acetyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone (CHEBI:127049) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-38612LINCS