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CHEBI:222415 - Phenguignardic acid butyl ester

ChEBI IDCHEBI:222415
ChEBI NamePhenguignardic acid butyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O5
Net Charge0
Average Mass366.413
Monoisotopic Mass366.14672
SMILESCCCCOC(=O)[C@]1(Cc2ccccc2)OC(=O)/C(=C\c2ccccc2)O1
InChIInChI=1S/C22H22O5/c1-2-3-14-25-21(24)22(16-18-12-8-5-9-13-18)26-19(20(23)27-22)15-17-10-6-4-7-11-17/h4-13,15H,2-3,14,16H2,1H3/b19-15+/t22-/m0/s1
InChIKeyCTSYOHDUKYEQBK-SIWPHUPXSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta (ncbitaxon:121621) - PubMed (30792517)
ChEBI Ontology
Outgoing Relation(s)
Phenguignardic acid butyl ester (CHEBI:222415) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
butyl (2S,4E)-2-benzyl-4-benzylidene-5-oxo-1,3-dioxolane-2-carboxylate