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CHEBI:206591 - Penicillospirone

ChEBI IDCHEBI:206591
ChEBI NamePenicillospirone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESC/C=C/[C@@H]1C=CC(=O)[C@H](O)[C@]12C(=O)O[C@H](C)[C@@H]2O
InChIInChI=1S/C13H16O5/c1-3-4-8-5-6-9(14)11(16)13(8)10(15)7(2)18-12(13)17/h3-8,10-11,15-16H,1-2H3/b4-3+/t7-,8-,10+,11+,13+/m1/s1
InChIKeyKRDUCTYOAPQUHL-MDJBZBTRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28583797)
ChEBI Ontology
Outgoing Relation(s)
Penicillospirone (CHEBI:206591) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(3R,4R,5S,6R,10R)-4,6-dihydroxy-3-methyl-10-[(E)-prop-1-enyl]-2-oxaspiro[4.5]dec-8-ene-1,7-dione
Manual XrefsDatabases
62285070ChemSpider