EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223491 - Pestalotiopyrone N

ChEBI IDCHEBI:223491
ChEBI NamePestalotiopyrone N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O5
Net Charge0
Average Mass210.185
Monoisotopic Mass210.05282
SMILESCOc1cc(/C(C)=C/C(=O)O)oc(=O)c1
InChIInChI=1S/C10H10O5/c1-6(3-9(11)12)8-4-7(14-2)5-10(13)15-8/h3-5H,1-2H3,(H,11,12)/b6-3+
InChIKeyPPIWEAUGFGHKOU-ZZXKWVIFSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (32286514)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopyrone N (CHEBI:223491) is a pyranone (CHEBI:37963)
IUPAC Name 
(E)-3-(4-methoxy-6-oxopyran-2-yl)but-2-enoic acid
Manual XrefsDatabases
95893886ChemSpider