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CHEBI:130109 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[oxo(2-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone

ChEBI IDCHEBI:130109
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[oxo(2-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone
Stars
DownloadsMolfile
FormulaC27H32N4O5
Net Charge0
Average Mass492.576
Monoisotopic Mass492.23727
SMILESCOCC(=O)N1CC2(CCN(C(=O)c3ccccn3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO
InChIInChI=1S/C27H32N4O5/c1-29-21-14-18(36-3)7-8-19(21)24-25(29)22(15-32)31(23(33)16-35-2)17-27(24)9-12-30(13-10-27)26(34)20-6-4-5-11-28-20/h4-8,11,14,22,32H,9-10,12-13,15-17H2,1-3H3/t22-/m0/s1
InChIKeyOWXHTGNPONOMFJ-QFIPXVFZSA-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'-[oxo(2-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone (CHEBI:130109) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41659LINCS