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CHEBI:214328 - Myrothelactone D

ChEBI IDCHEBI:214328
ChEBI NameMyrothelactone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H10O6
Net Charge0
Average Mass250.206
Monoisotopic Mass250.04774
SMILESCOc1cc(O)c2c(=O)oc(C)c(C(=O)O)c2c1
InChIInChI=1S/C12H10O6/c1-5-9(11(14)15)7-3-6(17-2)4-8(13)10(7)12(16)18-5/h3-4,13H,1-2H3,(H,14,15)
InChIKeyZDDOXLAUNUWIDW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Myrotheciumspecies OUCMDZ-2784 (ncbitaxon:1440508) - PubMed (30275406)
ChEBI Ontology
Outgoing Relation(s)
Myrothelactone D (CHEBI:214328) is a isocoumarins (CHEBI:38758)
IUPAC Name 
8-hydroxy-6-methoxy-3-methyl-1-oxoisochromene-4-carboxylic acid
Manual XrefsDatabases
71048920ChemSpider