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CHEBI:221224 - Mycoepoxydiene

ChEBI IDCHEBI:221224
ChEBI NameMycoepoxydiene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O5
Net Charge0
Average Mass290.315
Monoisotopic Mass290.11542
SMILESCC(=O)O[C@H]1C=CC(=O)O[C@H]1[C@@H]1[C@H](C)[C@H]2C=CC=C[C@@H]1O2
InChIInChI=1S/C16H18O5/c1-9-11-5-3-4-6-12(20-11)15(9)16-13(19-10(2)17)7-8-14(18)21-16/h3-9,11-13,15-16H,1-2H3/t9-,11-,12+,13+,15-,16-/m1/s1
InChIKeyMQZRLGPPQPUHBI-SUVXLDSESA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - DOI (10.1016/s0040-4039(98)02700-2)
ChEBI Ontology
Outgoing Relation(s)
Mycoepoxydiene (CHEBI:221224) is a pyranone (CHEBI:37963)
IUPAC Name 
[(2S,3S)-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate
Manual XrefsDatabases
9475727ChemSpider