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CHEBI:214744 - Aspersclerotiorone D

ChEBI IDCHEBI:214744
ChEBI NameAspersclerotiorone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O6
Net Charge0
Average Mass282.292
Monoisotopic Mass282.11034
SMILESCOC1=CC(=O)O[C@@]1(O)[C@@]1(C)C[C@@H]2O[C@@]1(C)C(=O)[C@@H]2C
InChIInChI=1S/C14H18O6/c1-7-8-6-12(2,13(3,19-8)11(7)16)14(17)9(18-4)5-10(15)20-14/h5,7-8,17H,6H2,1-4H3/t7-,8+,12+,13+,14-/m1/s1
InChIKeyKKQMOHLPZGGNPD-IJTUBWEGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28228227)
ChEBI Ontology
Outgoing Relation(s)
Aspersclerotiorone D (CHEBI:214744) is a butenolide (CHEBI:50523)
IUPAC Name 
(1R,3R,4S,6S)-6-[(2S)-2-hydroxy-3-methoxy-5-oxouran-2-yl]-1,3,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-one
Manual XrefsDatabases
78442146ChemSpider