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CHEBI:206045 - Asperisocoumarin E

ChEBI IDCHEBI:206045
ChEBI NameAsperisocoumarin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O5
Net Charge0
Average Mass276.288
Monoisotopic Mass276.09977
SMILESCC(C)C(=O)C(=O)c1ccc2c(c1O)C(=O)O[C@H](C)C2
InChIInChI=1S/C15H16O5/c1-7(2)12(16)14(18)10-5-4-9-6-8(3)20-15(19)11(9)13(10)17/h4-5,7-8,17H,6H2,1-3H3/t8-/m1/s1
InChIKeyQENIZGPLDNYQLT-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (27829913)
ChEBI Ontology
Outgoing Relation(s)
Asperisocoumarin E (CHEBI:206045) is a butanone (CHEBI:22951)
IUPAC Name 
1-[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromen-7-yl]-3-methylbutane-1,2-dione
Manual XrefsDatabases
60596815ChemSpider