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CHEBI:220400 - (7E)-3-[4-(4-buta-2,3-dienyloxy-benzyloxy)-3-methoxy-phenyl]-acrylic acid methyl ester

ChEBI IDCHEBI:220400
ChEBI Name(7E)-3-[4-(4-buta-2,3-dienyloxy-benzyloxy)-3-methoxy-phenyl]-acrylic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O5
Net Charge0
Average Mass366.413
Monoisotopic Mass366.14672
SMILESC=C=CCOc1ccc(COc2ccc(/C=C/C(=O)OC)cc2OC)cc1
InChIInChI=1S/C22H22O5/c1-4-5-14-26-19-10-6-18(7-11-19)16-27-20-12-8-17(15-21(20)24-2)9-13-22(23)25-3/h5-13,15H,1,14,16H2,2-3H3/b13-9+
InChIKeyJNJBCXBDGFTVKB-UKTHLTGXSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies (ncbitaxon:1715255) - PubMed (18569699)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(7E)-3-[4-(4-buta-2,3-dienyloxy-benzyloxy)-3-methoxy-phenyl]-acrylic acid methyl ester (CHEBI:220400) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
23286367ChemSpider