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CHEBI:200481 - Gelastatin A

ChEBI IDCHEBI:200481
ChEBI NameGelastatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESC/C=C/C=C/C=C1\C=C(CCC(=O)O)C(=O)OC1
InChIInChI=1S/C14H16O4/c1-2-3-4-5-6-11-9-12(7-8-13(15)16)14(17)18-10-11/h2-6,9H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4+,11-6+
InChIKeyACFXHMLFZGREFW-JCESNKCLSA-N
Species of MetaboliteComponentSourceComments
Westerdykella multispora (ncbitaxon:325664) - PubMed (9186564)
ChEBI Ontology
Outgoing Relation(s)
Gelastatin A (CHEBI:200481) is a pyranone (CHEBI:37963)
IUPAC Name 
3-[(5E)-5-[(2E,4E)-hexa-2,4-dienylidene]-2-oxopyran-3-yl]propanoic acid
Manual XrefsDatabases
8374312ChemSpider