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CHEBI:181322 - Methyl (15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

ChEBI IDCHEBI:181322
ChEBI NameMethyl (15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28N2O3
Net Charge0
Average Mass368.477
Monoisotopic Mass368.20999
SMILES[H][C@@]12C[C@H](CC)[C@]3([H])N(CCc4c(nc5ccc(OC)cc45)C3(C(=O)OC)C1)C2
InChIInChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13-,14+,20+,22?/m1/s1
InChIKeyMMAYTCMMKJYIAM-HRAXFBLQSA-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)
Methyl (15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate (CHEBI:181322) is a alkaloid (CHEBI:22315)
IUPAC Name 
methyl (15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Manual XrefsDatabases
57257087ChemSpider