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CHEBI:228635 - 2,3-di(acetyloxy)-3-cyano-1-[1,2-di(acetyloxy)ethyl]propyl acetate

ChEBI IDCHEBI:228635
ChEBI Name2,3-di(acetyloxy)-3-cyano-1-[1,2-di(acetyloxy)ethyl]propyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21NO10
Net Charge0
Average Mass387.341
Monoisotopic Mass387.11655
SMILESCC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C#N)OC(C)=O
InChIInChI=1S/C16H21NO10/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h13-16H,7H2,1-5H3
InChIKeyINCBLRCTSZYSJE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2,3-di(acetyloxy)-3-cyano-1-[1,2-di(acetyloxy)ethyl]propyl acetate (CHEBI:228635) has functional parent hexacarboxylic acid (CHEBI:59359)
2,3-di(acetyloxy)-3-cyano-1-[1,2-di(acetyloxy)ethyl]propyl acetate (CHEBI:228635) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2,3,4,5-tetraacetyloxy-5-cyanopentyl) acetate
Manual XrefsDatabases
197249ChemSpider