EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223661 - Peniciisocoumarin E

ChEBI IDCHEBI:223661
ChEBI NamePeniciisocoumarin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O6
Net Charge0
Average Mass280.276
Monoisotopic Mass280.09469
SMILESCOC(=O)CC[C@@H]1Cc2ccc(O)c(OC)c2C(=O)O1
InChIInChI=1S/C14H16O6/c1-18-11(16)6-4-9-7-8-3-5-10(15)13(19-2)12(8)14(17)20-9/h3,5,9,15H,4,6-7H2,1-2H3/t9-/m1/s1
InChIKeyCSIZCWHTOQSSKC-SECBINFHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30990038)
ChEBI Ontology
Outgoing Relation(s)
Peniciisocoumarin E (CHEBI:223661) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
methyl 3-[(3R)-7-hydroxy-8-methoxy-1-oxo-3,4-dihydroisochromen-3-yl]propanoate
Manual XrefsDatabases
74832019ChemSpider