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CHEBI:126928 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(1-oxo-2-phenylethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone

ChEBI IDCHEBI:126928
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(1-oxo-2-phenylethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone
Stars
DownloadsMolfile
FormulaC29H35N3O4
Net Charge0
Average Mass489.616
Monoisotopic Mass489.26276
SMILESCCC(=O)N1CC2(CCN(C(=O)Cc3ccccc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO
InChIInChI=1S/C29H35N3O4/c1-4-25(34)32-19-29(12-14-31(15-13-29)26(35)16-20-8-6-5-7-9-20)27-22-11-10-21(36-3)17-23(22)30(2)28(27)24(32)18-33/h5-11,17,24,33H,4,12-16,18-19H2,1-3H3/t24-/m0/s1
InChIKeyHFOYOASHGVVYAC-DEOSSOPVSA-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-9-methyl-1'-(1-oxo-2-phenylethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone (CHEBI:126928) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-38491LINCS