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CHEBI:48709 - 8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid

ChEBI IDCHEBI:48709
ChEBI Name8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
Stars
ASCII Name8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
Last Modified2 December 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESCC1=C2C(=COC(C)C2C)C(O)=C(C(=O)O)C1=O
InChIInChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)
InChIKeyCQIUKKVOEOPUDV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid (CHEBI:48709) is a isochromenes (CHEBI:38761)
Incoming Relation(s)
citrinin (CHEBI:48708) is a 8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid (CHEBI:48709)
IUPAC Name 
8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
Registry NumbersSources
Beilstein:240384Beilstein