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CHEBI:227212 - 8-acetyl homononactic acid

Default Structure
ChEBI IDCHEBI:227212
ChEBI Name8-acetyl homononactic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O5
Net Charge0
Average Mass258.314
Monoisotopic Mass258.14672
SMILESCC[C@H](C[C@H]1CC[C@@H]([C@H](C)C(=O)O)O1)OC(C)=O
InChIInChI=1S/C13H22O5/c1-4-10(17-9(3)14)7-11-5-6-12(18-11)8(2)13(15)16/h8,10-12H,4-7H2,1-3H3,(H,15,16)/t8-,10+,11+,12-/m0/s1
InChIKeyFPPNINAJBFJBAS-GMNPVEAJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.phytol.2015.04.001)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
8-acetyl homononactic acid (CHEBI:227212) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(2S)-2-[(2S,5R)-5-[(2R)-2-acetyloxybutyl]oxolan-2-yl]propanoic acid
Manual XrefsDatabases
40256806ChemSpider