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CHEBI:205439 - Pestalotiopyrone B

ChEBI IDCHEBI:205439
ChEBI NamePestalotiopyrone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O4
Net Charge0
Average Mass184.191
Monoisotopic Mass184.07356
SMILESCOc1cc([C@H](C)O)oc(=O)c1C
InChIInChI=1S/C9H12O4/c1-5-7(12-3)4-8(6(2)10)13-9(5)11/h4,6,10H,1-3H3/t6-/m0/s1
InChIKeyAVNQQAWDCPSNKU-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.tetlet.2010.10.131)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopyrone B (CHEBI:205439) is a pyranone (CHEBI:37963)
IUPAC Name 
6-(1-hydroxyethyl)-4-methoxy-3-methylpyran-2-one
Manual XrefsDatabases
27026319ChemSpider