EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227839 - Peyroisocoumarin D

ChEBI IDCHEBI:227839
ChEBI NamePeyroisocoumarin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O6
Net Charge0
Average Mass266.249
Monoisotopic Mass266.07904
SMILESCOc1cc(O)c2c(=O)oc([C@@H](O)[C@H](C)O)cc2c1
InChIInChI=1S/C13H14O6/c1-6(14)12(16)10-4-7-3-8(18-2)5-9(15)11(7)13(17)19-10/h3-6,12,14-16H,1-2H3/t6-,12-/m0/s1
InChIKeyKDPHNUKSHGWQHO-QTTZVWFDSA-N
Species of MetaboliteComponentSourceComments
Didymella (ncbitaxon:55170) - PubMed (27450949)
ChEBI Ontology
Outgoing Relation(s)
Peyroisocoumarin D (CHEBI:227839) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[(1S,2S)-1,2-dihydroxypropyl]-8-hydroxy-6-methoxyisochromen-1-one
Manual XrefsDatabases
58197321ChemSpider