CHEBI:228858 - Corynoxeine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Corynoxeine
ChEBI ID CHEBI:228858
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26N2O4
Net Charge 0
Average Mass 382.460
Monoisotopic Mass 382.18926
InChI InChI=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
InChIKey MUVGVMUWMAGNSY-KAXDATADSA-N
SMILES O=C1NC=2C([C@@]31[C@]4(N(CC3)C[C@@H]([C@H](C4)/C(/C(OC)=O)=C\OC)C=C)[H])=CC=CC2
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
23341549 ChemSpider
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