EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204587 - (E)-5,8-dihydroxy-3-(1-pentenyl)isocoumarin

ChEBI IDCHEBI:204587
ChEBI Name(E)-5,8-dihydroxy-3-(1-pentenyl)isocoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O4
Net Charge0
Average Mass246.262
Monoisotopic Mass246.08921
SMILESCCC/C=C/c1cc2c(O)ccc(O)c2c(=O)o1
InChIInChI=1S/C14H14O4/c1-2-3-4-5-9-8-10-11(15)6-7-12(16)13(10)14(17)18-9/h4-8,15-16H,2-3H2,1H3/b5-4+
InChIKeyIGZDEFGSVLJTJQ-SNAWJCMRSA-N
Species of MetaboliteComponentSourceComments
Pyrenulaspecies (ncbitaxon:2530106) - PubMed (15541740)
ChEBI Ontology
Outgoing Relation(s)
(E)-5,8-dihydroxy-3-(1-pentenyl)isocoumarin (CHEBI:204587) is a isocoumarins (CHEBI:38758)
IUPAC Name 
5,8-dihydroxy-3-[(E)-pent-1-enyl]isochromen-1-one
Manual XrefsDatabases
21377959ChemSpider