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CHEBI:210461 - Paralactonic acid C

Default Structure
ChEBI IDCHEBI:210461
ChEBI NameParalactonic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O6
Net Charge0
Average Mass280.276
Monoisotopic Mass280.09469
SMILESC[C@H]1C=C(CCC(=O)O)C(=O)O[C@H]1/C=C/C=C/C(=O)O
InChIInChI=1S/C14H16O6/c1-9-8-10(6-7-13(17)18)14(19)20-11(9)4-2-3-5-12(15)16/h2-5,8-9,11H,6-7H2,1H3,(H,15,16)(H,17,18)/b4-2+,5-3+/t9-,11-/m0/s1
InChIKeyKVPQGNJRYLOXMG-RUVHQKKISA-N
Species of MetaboliteComponentSourceComments
Paraconiothyrium (ncbitaxon:300251) - PubMed (30496810)
ChEBI Ontology
Outgoing Relation(s)
Paralactonic acid C (CHEBI:210461) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2E,4E)-5-[(2S,3S)-5-(2-carboxyethyl)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]penta-2,4-dienoic acid
Manual XrefsDatabases
71116006ChemSpider