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CHEBI:210454 - Paralactonic acid B

ChEBI IDCHEBI:210454
ChEBI NameParalactonic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESC/C=C/C=C/[C@@H]1OC(=O)C(CCC(=O)O)=C[C@@]1(C)O
InChIInChI=1S/C14H18O5/c1-3-4-5-6-11-14(2,18)9-10(13(17)19-11)7-8-12(15)16/h3-6,9,11,18H,7-8H2,1-2H3,(H,15,16)/b4-3+,6-5+/t11-,14+/m0/s1
InChIKeyCDXNXNADIWCCQX-XHBFMNLXSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyrium (ncbitaxon:300251) - PubMed (30496810)
ChEBI Ontology
Outgoing Relation(s)
Paralactonic acid B (CHEBI:210454) is a pyranone (CHEBI:37963)
IUPAC Name 
3-[(2S,3R)-3-hydroxy-3-methyl-6-oxo-2-[(1E,3E)-penta-1,3-dienyl]-2H-pyran-5-yl]propanoic acid
Manual XrefsDatabases
71116005ChemSpider