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CHEBI:228858 - Corynoxeine

ChEBI IDCHEBI:228858
ChEBI NameCorynoxeine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26N2O4
Net Charge0
Average Mass382.460
Monoisotopic Mass382.18926
SMILES[H][C@@]12C[C@H](/C(=C\OC)C(=O)OC)[C@@H](C=C)CN1CC[C@]21C(=O)Nc2ccccc21
InChIInChI=1S/C22H26N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h4-8,13-15,19H,1,9-12H2,2-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1
InChIKeyMUVGVMUWMAGNSY-KAXDATADSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Corynoxeine (CHEBI:228858) is a indoles (CHEBI:24828)
IUPAC Name 
methyl (E)-2-[(3R,6'R,7'S,8'aS)-6'-ethenyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Manual XrefsDatabases
23341549ChemSpider