EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220316 - Penicillar E

ChEBI IDCHEBI:220316
ChEBI NamePenicillar E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O3
Net Charge0
Average Mass198.262
Monoisotopic Mass198.12559
SMILESC=C/C=C/[C@H]1OC[C@](O)(CCC)[C@@H]1O
InChIInChI=1S/C11H18O3/c1-3-5-6-9-10(12)11(13,7-4-2)8-14-9/h3,5-6,9-10,12-13H,1,4,7-8H2,2H3/b6-5+/t9-,10-,11-/m1/s1
InChIKeyLGVYGWVIDSBECZ-QDTFPYKTSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SCS-KFD08 (ncbitaxon:1808020) - PubMed (25904163)
ChEBI Ontology
Outgoing Relation(s)
Penicillar E (CHEBI:220316) is a oxolanes (CHEBI:26912)
IUPAC Name 
(2R,3R,4R)-2-[(1E)-buta-1,3-dienyl]-4-propyloxolane-3,4-diol
Manual XrefsDatabases
60596938ChemSpider