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CHEBI:205119 - Simple Pyrone 3

ChEBI IDCHEBI:205119
ChEBI NameSimple Pyrone 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O4
Net Charge0
Average Mass196.202
Monoisotopic Mass196.07356
SMILESCOc1cc(=O)oc([C@]2(C)CO2)c1C
InChIInChI=1S/C10H12O4/c1-6-7(12-3)4-8(11)14-9(6)10(2)5-13-10/h4H,5H2,1-3H3/t10-/m0/s1
InChIKeyOXOYFOKGDOZNLQ-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4039(97)00525-x)
ChEBI Ontology
Outgoing Relation(s)
Simple Pyrone 3 (CHEBI:205119) is a pyranone (CHEBI:37963)
IUPAC Name 
4-methoxy-5-methyl-6-(2-methyloxiran-2-yl)pyran-2-one
Manual XrefsDatabases
78435960ChemSpider