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CHEBI:216975 - Pestalafuranone E

ChEBI IDCHEBI:216975
ChEBI NamePestalafuranone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
SMILESCCCC1=C(C[C@@]2(C)O[C@@H]2C)COC1=O
InChIInChI=1S/C12H18O3/c1-4-5-10-9(7-14-11(10)13)6-12(3)8(2)15-12/h8H,4-7H2,1-3H3/t8-,12-/m1/s1
InChIKeyHGCDQKTVALTDFU-PRHODGIISA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis besseyi (ncbitaxon:290097) - PubMed (23187285)
ChEBI Ontology
Outgoing Relation(s)
Pestalafuranone E (CHEBI:216975) is a butenolide (CHEBI:50523)
IUPAC Name 
3-[[(2R,3R)-2,3-dimethyloxiran-2-yl]methyl]-4-propyl-2H-uran-5-one
Manual XrefsDatabases
78437570ChemSpider