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CHEBI:214310 - Myrothelactone A

ChEBI IDCHEBI:214310
ChEBI NameMyrothelactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O6
Net Charge0
Average Mass252.222
Monoisotopic Mass252.06339
SMILESCOc1cc(O)c2c(=O)occ([C@@H](O)CO)c2c1
InChIInChI=1S/C12H12O6/c1-17-6-2-7-8(10(15)4-13)5-18-12(16)11(7)9(14)3-6/h2-3,5,10,13-15H,4H2,1H3/t10-/m0/s1
InChIKeyPXVJZGHNODLJCR-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Myrotheciumspecies OUCMDZ-2784 (ncbitaxon:1440508) - PubMed (30275406)
ChEBI Ontology
Outgoing Relation(s)
Myrothelactone A (CHEBI:214310) is a isocoumarins (CHEBI:38758)
IUPAC Name 
4-[(1R)-1,2-dihydroxyethyl]-8-hydroxy-6-methoxyisochromen-1-one
Manual XrefsDatabases
71048917ChemSpider