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CHEBI:201776 - Phenguignardic acid methyl ester

ChEBI IDCHEBI:201776
ChEBI NamePhenguignardic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O5
Net Charge0
Average Mass324.332
Monoisotopic Mass324.09977
SMILESCOC(=O)[C@@]1(Cc2ccccc2)OC(=O)C(=Cc2ccccc2)O1
InChIInChI=1S/C19H16O5/c1-22-18(21)19(13-15-10-6-3-7-11-15)23-16(17(20)24-19)12-14-8-4-2-5-9-14/h2-12H,13H2,1H3/t19-/m1/s1
InChIKeyXHOGLUPLOPHVCD-LJQANCHMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24704337)
ChEBI Ontology
Outgoing Relation(s)
Phenguignardic acid methyl ester (CHEBI:201776) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R)-2-benzyl-4-benzylidene-5-oxo-1,3-dioxolane-2-carboxylate