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CHEBI:208480 - Deoxysporothric acid

ChEBI IDCHEBI:208480
ChEBI NameDeoxysporothric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O4
Net Charge0
Average Mass240.299
Monoisotopic Mass240.13616
SMILESC=C(C(=O)O)[C@H]1C[C@@H](CCCCCC)OC1=O
InChIInChI=1S/C13H20O4/c1-3-4-5-6-7-10-8-11(13(16)17-10)9(2)12(14)15/h10-11H,2-8H2,1H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyRHVCCGGUZCFSLF-GHMZBOCLSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (29043802)
ChEBI Ontology
Outgoing Relation(s)
Deoxysporothric acid (CHEBI:208480) is a γ-lactone (CHEBI:37581)
IUPAC Name 
2-[(3R,5R)-5-hexyl-2-oxooxolan-3-yl]prop-2-enoic acid
Manual XrefsDatabases
62453200ChemSpider