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CHEBI:205424 - Deacetylmycoepoxydiene

ChEBI IDCHEBI:205424
ChEBI NameDeacetylmycoepoxydiene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESC[C@H]1[C@@H]([C@@H]2OC(=O)C=C[C@@H]2O)[C@@H]2C=CC=C[C@H]1O2
InChIInChI=1S/C14H16O4/c1-8-10-4-2-3-5-11(17-10)13(8)14-9(15)6-7-12(16)18-14/h2-11,13-15H,1H3/t8-,9+,10-,11+,13-,14-/m1/s1
InChIKeyRTPJTLADTXRGCF-PNQJMIKCSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (17926268)
ChEBI Ontology
Outgoing Relation(s)
Deacetylmycoepoxydiene (CHEBI:205424) is a pyranone (CHEBI:37963)
IUPAC Name 
(2S,3S)-3-hydroxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-2,3-dihydropyran-6-one
Manual XrefsDatabases
78437284ChemSpider