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CHEBI:199499 - (7S,8S,8aS)-7,8-dihydroxy-3,5,7-trimethyl-8,8a-dihydro-1H-isochromen-6(7H)-one

ChEBI IDCHEBI:199499
ChEBI Name(7S,8S,8aS)-7,8-dihydroxy-3,5,7-trimethyl-8,8a-dihydro-1H-isochromen-6(7H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCC1=CC2=C(C)C(=O)[C@@](C)(O)[C@@H](O)[C@@H]2CO1
InChIInChI=1S/C12H16O4/c1-6-4-8-7(2)10(13)12(3,15)11(14)9(8)5-16-6/h4,9,11,14-15H,5H2,1-3H3/t9-,11+,12-/m1/s1
InChIKeyCGRHRRPYPFDVGZ-ADEWGFFLSA-N
Species of MetaboliteComponentSourceComments
Eutypella (ncbitaxon:140192) - PubMed (23061665)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
(7S,8S,8aS)-7,8-dihydroxy-3,5,7-trimethyl-8,8a-dihydro-1H-isochromen-6(7H)-one (CHEBI:199499) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7S,8S,8aS)-7,8-dihydroxy-3,5,7-trimethyl-8,8a-dihydro-1H-isochromen-6-one
Manual XrefsDatabases
29784889ChemSpider