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CHEBI:215507 - Terrecoumarin B

ChEBI IDCHEBI:215507
ChEBI NameTerrecoumarin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O3
Net Charge0
Average Mass258.317
Monoisotopic Mass258.12559
SMILESCOc1ccc2c(=O)oc(C)cc2c1CC=C(C)C
InChIInChI=1S/C16H18O3/c1-10(2)5-6-12-14-9-11(3)19-16(17)13(14)7-8-15(12)18-4/h5,7-9H,6H2,1-4H3
InChIKeyYFKIIPGXPUGSGV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium oxalicum (ncbitaxon:69781) - PubMed (26411648)
ChEBI Ontology
Outgoing Relation(s)
Terrecoumarin B (CHEBI:215507) is a isocoumarins (CHEBI:38758)
IUPAC Name 
6-methoxy-3-methyl-5-(3-methylbut-2-enyl)isochromen-1-one
Manual XrefsDatabases
78435660ChemSpider