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CHEBI:63164 - prosolanapyrone III

ChEBI IDCHEBI:63164
ChEBI Nameprosolanapyrone III
Stars
DefinitionA prosolanapyrone that is prosolanapyrone II in which the hydroxy group has been oxidised to afford the corresponding aldehyde.
Last Modified5 December 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H22O4
Net Charge0
Average Mass302.370
Monoisotopic Mass302.15181
SMILES[H]C(=O)c1c(OC)cc(/C=C/CCCC/C=C/C=C/C)oc1=O
InChIInChI=1S/C18H22O4/c1-3-4-5-6-7-8-9-10-11-12-15-13-17(21-2)16(14-19)18(20)22-15/h3-6,11-14H,7-10H2,1-2H3/b4-3+,6-5+,12-11+
InChIKeyKINNIEOBQSTCFI-JHHIBIJLSA-N
ChEBI Ontology
Outgoing Relation(s)
prosolanapyrone III (CHEBI:63164) is a aldehyde (CHEBI:17478)
prosolanapyrone III (CHEBI:63164) is a prosolanapyrone (CHEBI:38237)
IUPAC Name 
4-methoxy-2-oxo-6-[(1E,7E,9E)-undeca-1,7,9-trien-1-yl]-2H-pyran-3-carbaldehyde
UniProt Name  Source
prosolanapyrone IIIUniProt
Registry NumbersSources
Reaxys:7216199Reaxys
Citations