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CHEBI:93372 - (3S)-2-(2-chloro-1-oxoethyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester

ChEBI IDCHEBI:93372
ChEBI Name(3S)-2-(2-chloro-1-oxoethyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC17H19ClN2O3
Net Charge0
Average Mass334.803
Monoisotopic Mass334.10842
SMILESCOC(=O)[C@@H]1Cc2c(nc3ccccc23)C(C)(C)N1C(=O)CCl
InChIInChI=1S/C17H19ClN2O3/c1-17(2)15-11(10-6-4-5-7-12(10)19-15)8-13(16(22)23-3)20(17)14(21)9-18/h4-7,13,19H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyYTNZJAMWMLPAQY-ZDUSSCGKSA-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)
(3S)-2-(2-chloro-1-oxoethyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester (CHEBI:93372) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-3752LINCS