EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212251 - Penicipyran A

ChEBI IDCHEBI:212251
ChEBI NamePenicipyran A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O4
Net Charge0
Average Mass232.235
Monoisotopic Mass232.07356
SMILESCc1cccc(O)c1-c1cc(O)c(C)c(=O)o1
InChIInChI=1S/C13H12O4/c1-7-4-3-5-9(14)12(7)11-6-10(15)8(2)13(16)17-11/h3-6,14-15H,1-2H3
InChIKeyYJAGHZSLRWRZKO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium raistrickii (ncbitaxon:69783) - PubMed (28025533)
ChEBI Ontology
Outgoing Relation(s)
Penicipyran A (CHEBI:212251) is a hydroxytoluene (CHEBI:24751)
IUPAC Name 
4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one
Manual XrefsDatabases
60958479ChemSpider