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CHEBI:130210 - 1-[(1R)-1'-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone

ChEBI IDCHEBI:130210
ChEBI Name1-[(1R)-1'-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone
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DownloadsMolfile
FormulaC24H31N3O4
Net Charge0
Average Mass425.529
Monoisotopic Mass425.23146
SMILESCCCC(=O)N1CC2(CN(C(=O)C3CC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO
InChIInChI=1S/C24H31N3O4/c1-4-5-20(29)27-14-24(12-26(13-24)23(30)15-6-7-15)21-17-9-8-16(31-3)10-18(17)25(2)22(21)19(27)11-28/h8-10,15,19,28H,4-7,11-14H2,1-3H3/t19-/m0/s1
InChIKeyUPZBRRHRCMATBT-IBGZPJMESA-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'-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone (CHEBI:130210) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41759LINCS