EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211323 - Purpuropyranone

ChEBI IDCHEBI:211323
ChEBI NamePurpuropyranone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O4
Net Charge0
Average Mass196.202
Monoisotopic Mass196.07356
SMILESCC[C@@H](O)C(=O)c1ccc(=O)oc1C
InChIInChI=1S/C10H12O4/c1-3-8(11)10(13)7-4-5-9(12)14-6(7)2/h4-5,8,11H,3H2,1-2H3/t8-/m1/s1
InChIKeyNGQOANXBBNAELE-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30417660)
ChEBI Ontology
Outgoing Relation(s)
Purpuropyranone (CHEBI:211323) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
5-[(2R)-2-hydroxybutanoyl]-6-methylpyran-2-one
Manual XrefsDatabases
77001849ChemSpider