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CHEBI:218856 - EI-1941-2

ChEBI IDCHEBI:218856
ChEBI NameEI-1941-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESCCC[C@@H]1CC2=C(C(=O)O1)[C@@H](O)[C@@H]1O[C@@H]1C2=O
InChIInChI=1S/C12H14O5/c1-2-3-5-4-6-7(12(15)16-5)9(14)11-10(17-11)8(6)13/h5,9-11,14H,2-4H2,1H3/t5-,9-,10-,11+/m1/s1
InChIKeyHNHUZZHNVSTBDM-PRTGYXNQSA-N
Species of MetaboliteComponentSourceComments
Farrowia (ncbitaxon:110147) - DOI (10.1016/j.tetlet.2004.08.076)
ChEBI Ontology
Outgoing Relation(s)
EI-1941-2 (CHEBI:218856) is a pyranone (CHEBI:37963)
IUPAC Name 
(1aS,2R,5R,7aS)-2-hydroxy-5-propyl-2,5,6,7a-tetrahydro-1aH-oxireno[2,3-g]isochromene-3,7-dione
Manual XrefsDatabases
9485912ChemSpider