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CHEBI:128087 - 1-[(1R)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone

ChEBI IDCHEBI:128087
ChEBI Name1-[(1R)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone
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DownloadsMolfile
FormulaC23H31N3O3
Net Charge0
Average Mass397.519
Monoisotopic Mass397.23654
SMILESCCCC(=O)N1CC2(C1)CN(CC1CC1)[C@@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C23H31N3O3/c1-3-4-20(28)26-13-23(14-26)12-25(10-15-5-6-15)19(11-27)22-21(23)17-8-7-16(29-2)9-18(17)24-22/h7-9,15,19,24,27H,3-6,10-14H2,1-2H3/t19-/m0/s1
InChIKeyWEHHXPNDTZVABV-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)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone (CHEBI:128087) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39643LINCS