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CHEBI:94173 - (1R,3S)-2-(2-chloro-1-oxoethyl)-1-(4-methoxycarbonylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester

ChEBI IDCHEBI:94173
ChEBI Name(1R,3S)-2-(2-chloro-1-oxoethyl)-1-(4-methoxycarbonylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC23H21ClN2O5
Net Charge0
Average Mass440.883
Monoisotopic Mass440.11390
SMILESCOC(=O)c1ccc([C@@H]2c3nc4ccccc4c3C[C@@H](C(=O)OC)N2C(=O)CCl)cc1
InChIInChI=1S/C23H21ClN2O5/c1-30-22(28)14-9-7-13(8-10-14)21-20-16(15-5-3-4-6-17(15)25-20)11-18(23(29)31-2)26(21)19(27)12-24/h3-10,18,21,25H,11-12H2,1-2H3/t18-,21+/m0/s1
InChIKeyTXJZRSRTYPUYRW-GHTZIAJQSA-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)
(1R,3S)-2-(2-chloro-1-oxoethyl)-1-(4-methoxycarbonylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester (CHEBI:94173) is a harmala alkaloid (CHEBI:61379)
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