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CHEBI:176818 - 6-Acetoxy-piliformic-acid

Default Structure
ChEBI IDCHEBI:176818
ChEBI Name6-Acetoxy-piliformic-acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O6
Net Charge0
Average Mass272.297
Monoisotopic Mass272.12599
SMILESCC(=O)OCCCCC/C=C(/C(=O)O)[C@H](C)C(=O)O
InChIInChI=1S/C13H20O6/c1-9(12(15)16)11(13(17)18)7-5-3-4-6-8-19-10(2)14/h7,9H,3-6,8H2,1-2H3,(H,15,16)(H,17,18)/b11-7+/t9-/m0/s1
InChIKeyRYZDBQOHINYASH-FKVCUQLRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS2531)
ChEBI Ontology
Outgoing Relation(s)
6-Acetoxy-piliformic-acid (CHEBI:176818) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2E,3S)-2-(6-acetyloxyhexylidene)-3-methylbutanedioic acid