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CHEBI:197917 - Pestalotiopyrone I

ChEBI IDCHEBI:197917
ChEBI NamePestalotiopyrone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O7
Net Charge0
Average Mass284.264
Monoisotopic Mass284.08960
SMILESCOc1cc(/C(C)=C/C(=O)OC[C@H](O)CO)oc(=O)c1
InChIInChI=1S/C13H16O7/c1-8(3-12(16)19-7-9(15)6-14)11-4-10(18-2)5-13(17)20-11/h3-5,9,14-15H,6-7H2,1-2H3/b8-3+/t9-/m1/s1
InChIKeyYVVVJWFCPJGNFJ-QZGLAHODSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis virgatula (ncbitaxon:290289) - DOI (10.1016/j.tetlet.2013.04.031)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopyrone I (CHEBI:197917) is a 1-monoglyceride (CHEBI:35759)
IUPAC Name 
[(2R)-2,3-dihydroxypropyl] (E)-3-(4-methoxy-6-oxopyran-2-yl)but-2-enoate
Manual XrefsDatabases
29355812ChemSpider