EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228828 - HPK

Default Structure
ChEBI IDCHEBI:228828
ChEBI NameHPK
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H10O4
Net Charge0
Average Mass218.208
Monoisotopic Mass218.05791
SMILESO=C(O)C(=O)/C=C/CC(=O)c1ccccc1
InChIInChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-6,8H,7H2,(H,15,16)/b8-4+
InChIKeyQPGAZPBFRAAJBD-XBXARRHUSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
HPK (CHEBI:228828) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(E)-2,6-dioxo-6-phenylhex-3-enoic acid
Manual XrefsDatabases
61709616ChemSpider