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CHEBI:207714 - methyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2-butanoate

ChEBI IDCHEBI:207714
ChEBI Namemethyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2-butanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O5
Net Charge0
Average Mass226.228
Monoisotopic Mass226.08412
SMILESCOC(=O)CCC(=O)c1ccc([C@@H](C)O)o1
InChIInChI=1S/C11H14O5/c1-7(12)9-4-5-10(16-9)8(13)3-6-11(14)15-2/h4-5,7,12H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyGTUBQHDUMJNQSV-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Diaporthespecies XZ-07 (ncbitaxon:357840) - DOI (10.1002/hlca.200800416)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
methyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2-butanoate (CHEBI:207714) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
methyl 4-[5-[(1R)-1-hydroxyethyl]uran-2-yl]-4-oxobutanoate
Manual XrefsDatabases
78441280ChemSpider