EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226299 - Peneciraistin D

ChEBI IDCHEBI:226299
ChEBI NamePeneciraistin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O6
Net Charge0
Average Mass292.287
Monoisotopic Mass292.09469
SMILESCc1c(O)cc2cc(CC(=O)C[C@H](C)O)oc(=O)c2c1O
InChIInChI=1S/C15H16O6/c1-7(16)3-10(17)6-11-4-9-5-12(18)8(2)14(19)13(9)15(20)21-11/h4-5,7,16,18-19H,3,6H2,1-2H3/t7-/m0/s1
InChIKeyFRRJJPVFCFYMPN-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Penicillium raistrickii (ncbitaxon:69783) - DOI (10.1016/j.tet.2012.01.054)
ChEBI Ontology
Outgoing Relation(s)
Peneciraistin D (CHEBI:226299) is a isocoumarins (CHEBI:38758)
IUPAC Name 
6,8-dihydroxy-3-[(4S)-4-hydroxy-2-oxopentyl]-7-methylisochromen-1-one
Manual XrefsDatabases
29214568ChemSpider