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CHEBI:199302 - Pestalotiopyrone C

ChEBI IDCHEBI:199302
ChEBI NamePestalotiopyrone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O4
Net Charge0
Average Mass184.191
Monoisotopic Mass184.07356
SMILESCOc1c([C@H](C)O)coc(=O)c1C
InChIInChI=1S/C9H12O4/c1-5-8(12-3)7(6(2)10)4-13-9(5)11/h4,6,10H,1-3H3/t6-/m0/s1
InChIKeyOEVFBTZWWJIAIJ-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.phytol.2011.08.008)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopyrone C (CHEBI:199302) is a pyranone (CHEBI:37963)
IUPAC Name 
5-(1-hydroxyethyl)-4-methoxy-3-methylpyran-2-one
Manual XrefsDatabases
61041806ChemSpider