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CHEBI:222833 - Ascochital

ChEBI IDCHEBI:222833
ChEBI NameAscochital
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SubmitterMetaboLights
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FormulaC15H18O6
Net Charge0
Average Mass294.303
Monoisotopic Mass294.11034
SMILESCCC(C)C(=O)C(C)c1cc(O)c(C(=O)O)c(O)c1C=O
InChIInChI=1S/C15H18O6/c1-4-7(2)13(18)8(3)9-5-11(17)12(15(20)21)14(19)10(9)6-16/h5-8,17,19H,4H2,1-3H3,(H,20,21)
InChIKeyBUBGGXXWUJXFLO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ascochyta (ncbitaxon:5453) - PubMed (12168545)
ChEBI Ontology
Outgoing Relation(s)
Ascochital (CHEBI:222833) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3-ormyl-2,6-dihydroxy-4-(4-methyl-3-oxohexan-2-yl)benzoic acid
Manual XrefsDatabases
8170164ChemSpider