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CHEBI:205771 - Puberulic acid

Default Structure
ChEBI IDCHEBI:205771
ChEBI NamePuberulic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H4O7
Net Charge0
Average Mass224.124
Monoisotopic Mass223.99570
SMILESO=C1OC(=O)c2c1cc(=O)c(O)c(O)c2O
InChIInChI=1S/C9H4O7/c10-3-1-2-4(9(15)16-8(2)14)6(12)7(13)5(3)11/h1H,(H3,10,11,12,13)
InChIKeyJAJRKOVXTSKCLS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium puberulum (ncbitaxon:1343408) - PubMed (16744843)
ChEBI Ontology
Outgoing Relation(s)
Puberulic acid (CHEBI:205771) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
4,5,6-trihydroxycyclohepta[c]uran-1,3,7-trione
Manual XrefsDatabases
16735989ChemSpider