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CHEBI:226253 - Allantofuranone

ChEBI IDCHEBI:226253
ChEBI NameAllantofuranone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O5
Net Charge0
Average Mass324.332
Monoisotopic Mass324.09977
SMILESCO[C@@]1(CC(=O)c2ccccc2)OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C19H16O5/c1-23-19(12-15(20)13-8-4-2-5-9-13)16(17(21)18(22)24-19)14-10-6-3-7-11-14/h2-11,21H,12H2,1H3/t19-/m0/s1
InChIKeyZSQDINYGPVLTCM-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Allantophomopsis (ncbitaxon:334516) - PubMed (19198630)
ChEBI Ontology
Outgoing Relation(s)
Allantofuranone (CHEBI:226253) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-hydroxy-5-methoxy-5-phenacyl-4-phenyluran-2-one
Manual XrefsDatabases
21782582ChemSpider