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CHEBI:233403 - (16R,19Z)-isositsirikine

ChEBI IDCHEBI:233403
ChEBI Name(16R,19Z)-isositsirikine
Stars
ASCII Name(16R,19Z)-isositsirikine
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H26N2O3
Net Charge0
Average Mass354.450
Monoisotopic Mass354.19434
SMILES[H][C@@]12C[C@]([H])([C@]([H])(CO)C(=O)OC)/C(=C/C)CN1CCc1c2nc2ccccc12
InChIInChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,16-17,19,22,24H,8-12H2,1-2H3/b13-3+/t16-,17-,19-/m0/s1
InChIKeyRGXKJLTVROJBKZ-GUDANERBSA-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)
(16R,19Z)-isositsirikine (CHEBI:233403) is a indole alkaloid (CHEBI:38958)
(16R,19Z)-isositsirikine (CHEBI:233403) is a methyl ester (CHEBI:25248)
(16R,19Z)-isositsirikine (CHEBI:233403) is a organic heterotetracyclic compound (CHEBI:38163)
UniProt Name  Source
(16R,19Z)-isositsirikineUniProt
Citations