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CHEBI:228953 - 16-Ethoxystrychnine

ChEBI IDCHEBI:228953
ChEBI Name16-Ethoxystrychnine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26N2O3
Net Charge0
Average Mass378.472
Monoisotopic Mass378.19434
SMILES[H][C@]12[C@@]3([H])C[C@]4(OCC)N5CCC46c4ccccc4N(C(=O)C[C@]1([H])OCC=C3C5)[C@]62[H]
InChIInChI=1S/C23H26N2O3/c1-2-28-23-12-15-14-7-10-27-18-11-19(26)25-17-6-4-3-5-16(17)22(23,21(25)20(15)18)8-9-24(23)13-14/h3-7,15,18,20-21H,2,8-13H2,1H3/t15-,18-,20-,21-,22?,23+/m0/s1
InChIKeyBWCUFELTNOPYLM-KWNWVHFBSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
16-Ethoxystrychnine (CHEBI:228953) is a alkaloid (CHEBI:22315)
IUPAC Name 
(4aR,5aR,13aS,15aS,15bR)-5a-ethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Manual XrefsDatabases
173153ChemSpider