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CHEBI:206238 - Terrecoumarin A

ChEBI IDCHEBI:206238
ChEBI NameTerrecoumarin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O4
Net Charge0
Average Mass274.316
Monoisotopic Mass274.12051
SMILESCOc1c(O)cc2c(=O)oc(C)cc2c1CC=C(C)C
InChIInChI=1S/C16H18O4/c1-9(2)5-6-11-12-7-10(3)20-16(18)13(12)8-14(17)15(11)19-4/h5,7-8,17H,6H2,1-4H3
InChIKeyGXTKXNXEOIYHTJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium oxalicum (ncbitaxon:69781) - PubMed (26411648)
ChEBI Ontology
Outgoing Relation(s)
Terrecoumarin A (CHEBI:206238) is a isocoumarins (CHEBI:38758)
IUPAC Name 
7-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)isochromen-1-one
Manual XrefsDatabases
78435686ChemSpider