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CHEBI:222509 - 1,1'-dioxine-2,2'-dipropionic acid

ChEBI IDCHEBI:222509
ChEBI Name1,1'-dioxine-2,2'-dipropionic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O6
Net Charge0
Average Mass228.200
Monoisotopic Mass228.06339
SMILESO=C(O)CCC1=COC(CCC(=O)O)=CO1
InChIInChI=1S/C10H12O6/c11-9(12)3-1-7-5-16-8(6-15-7)2-4-10(13)14/h5-6H,1-4H2,(H,11,12)(H,13,14)
InChIKeyWURHVUVQHWJXRS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - PubMed (31267010)
ChEBI Ontology
Outgoing Relation(s)
1,1'-dioxine-2,2'-dipropionic acid (CHEBI:222509) is a oxacycle (CHEBI:38104)
IUPAC Name 
3-[5-(2-carboxyethyl)-1,4-dioxin-2-yl]propanoic acid
Manual XrefsDatabases
78315784ChemSpider