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CHEBI:229086 - Coniferyl diangelate

ChEBI IDCHEBI:229086
ChEBI NameConiferyl diangelate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O5
Net Charge0
Average Mass344.407
Monoisotopic Mass344.16237
SMILESC/C=C(/C)C(=O)OC/C=C/c1ccc(OC(=O)/C(C)=C\C)c(OC)c1
InChIInChI=1S/C20H24O5/c1-6-14(3)19(21)24-12-8-9-16-10-11-17(18(13-16)23-5)25-20(22)15(4)7-2/h6-11,13H,12H2,1-5H3/b9-8+,14-6-,15-7-
InChIKeyXBXXXXXDBUJKFO-VJFCEBIRSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Coniferyl diangelate (CHEBI:229086) is a benzoate ester (CHEBI:36054)
Coniferyl diangelate (CHEBI:229086) is a phenols (CHEBI:33853)
IUPAC Name 
[(E)-3-[3-methoxy-4-[(Z)-2-methylbut-2-enoyl]oxyphenyl]prop-2-enyl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
4475200ChemSpider