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CHEBI:200048 - Tricladolide A

Default Structure
ChEBI IDCHEBI:200048
ChEBI NameTricladolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESCC1=C(/C=C/CCC/C=C/C(=O)O)C(=O)OC1=O
InChIInChI=1S/C13H14O5/c1-9-10(13(17)18-12(9)16)7-5-3-2-4-6-8-11(14)15/h5-8H,2-4H2,1H3,(H,14,15)/b7-5+,8-6+
InChIKeyHCSKILVSDLILBO-KQQUZDAGSA-N
Species of MetaboliteComponentSourceComments
Tricladium castaneicola (ncbitaxon:693256) - PubMed (25875311)
ChEBI Ontology
Outgoing Relation(s)
Tricladolide A (CHEBI:200048) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2E,7E)-8-(4-methyl-2,5-dioxouran-3-yl)octa-2,7-dienoic acid
Manual XrefsDatabases
9768756ChemSpider