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CHEBI:226593 - Actofunicone

ChEBI IDCHEBI:226593
ChEBI NameActofunicone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O9
Net Charge0
Average Mass418.398
Monoisotopic Mass418.12638
SMILESCOC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc(C[C@H](C)OC(C)=O)cc1=O
InChIInChI=1S/C21H22O9/c1-11(30-12(2)22)6-14-8-17(23)16(10-29-14)20(24)19-15(21(25)28-5)7-13(26-3)9-18(19)27-4/h7-11H,6H2,1-5H3/t11-/m0/s1
InChIKeyVSHBHDIKPQHDHQ-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (12002999)
ChEBI Ontology
Outgoing Relation(s)
Actofunicone (CHEBI:226593) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl 2-[6-[(2S)-2-acetyloxypropyl]-4-oxopyran-3-carbonyl]-3,5-dimethoxybenzoate
Manual XrefsDatabases
32698521ChemSpider