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CHEBI:199456 - Isofunicone

ChEBI IDCHEBI:199456
ChEBI NameIsofunicone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O8
Net Charge0
Average Mass374.345
Monoisotopic Mass374.10017
SMILESC/C=C/c1occ(C(=O)c2c(OC)cc(O)cc2C(=O)OC)c(=O)c1OC
InChIInChI=1S/C19H18O8/c1-5-6-13-18(25-3)17(22)12(9-27-13)16(21)15-11(19(23)26-4)7-10(20)8-14(15)24-2/h5-9,20H,1-4H3/b6-5+
InChIKeyRKPUWEPREOHXHS-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/0031-9422(95)00410-9)
ChEBI Ontology
Outgoing Relation(s)
Isofunicone (CHEBI:199456) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl 5-hydroxy-3-methoxy-2-[5-methoxy-4-oxo-6-[(E)-prop-1-enyl]pyran-3-carbonyl]benzoate
Manual XrefsDatabases
8746809ChemSpider