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CHEBI:204098 - Deliquinone

Default Structure
ChEBI IDCHEBI:204098
ChEBI NameDeliquinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESCC1=C(CCO)C(=O)C2=C(C[C@@](C)(CO)C2)C1=O
InChIInChI=1S/C14H18O4/c1-8-9(3-4-15)13(18)11-6-14(2,7-16)5-10(11)12(8)17/h15-16H,3-7H2,1-2H3/t14-/m1/s1
InChIKeyZJUSBIHJNNDXNV-CQSZACIVSA-N
Species of MetaboliteComponentSourceComments
Russula delica (ncbitaxon:111140) - DOI (10.3891/acta.chem.scand.52-1333)
ChEBI Ontology
Outgoing Relation(s)
Deliquinone (CHEBI:204098) is a ketone (CHEBI:17087)
IUPAC Name 
(2R)-5-(2-hydroxyethyl)-2-(hydroxymethyl)-2,6-dimethyl-1,3-dihydroindene-4,7-dione
Manual XrefsDatabases
78442018ChemSpider