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CHEBI:228954 - 16-Propoxystrychnine

ChEBI IDCHEBI:228954
ChEBI Name16-Propoxystrychnine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28N2O3
Net Charge0
Average Mass392.499
Monoisotopic Mass392.20999
SMILES[H][C@@]12C3C4CC(=O)N1c1ccccc1[C@@]21CCN2CC(=CCO4)C3CC21OCCC
InChIInChI=1S/C24H28N2O3/c1-2-10-29-24-13-16-15-7-11-28-19-12-20(27)26-18-6-4-3-5-17(18)23(24,22(26)21(16)19)8-9-25(24)14-15/h3-7,16,19,21-22H,2,8-14H2,1H3/t16?,19?,21?,22-,23-,24?/m0/s1
InChIKeyHSSPPKUPUVYOBZ-BHLWPHEPSA-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-Propoxystrychnine (CHEBI:228954) is a alkaloid (CHEBI:22315)
IUPAC Name 
(8aS,13aS)-5a-propoxy-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
4478732ChemSpider