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CHEBI:217541 - Tubakialactone A

ChEBI IDCHEBI:217541
ChEBI NameTubakialactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O5
Net Charge0
Average Mass236.223
Monoisotopic Mass236.06847
SMILESCOc1cc(O)c2c(=O)oc(CO)c(C)c2c1
InChIInChI=1S/C12H12O5/c1-6-8-3-7(16-2)4-9(14)11(8)12(15)17-10(6)5-13/h3-4,13-14H,5H2,1-2H3
InChIKeyDGJRMHDLEKHWPB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Tubakia (ncbitaxon:881292) - DOI (10.1016/j.tetlet.2017.04.076)
ChEBI Ontology
Outgoing Relation(s)
Tubakialactone A (CHEBI:217541) is a isocoumarins (CHEBI:38758)
IUPAC Name 
8-hydroxy-3-(hydroxymethyl)-6-methoxy-4-methylisochromen-1-one
Manual XrefsDatabases
78435283ChemSpider