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CHEBI:174009 - Ethyl aconitate

Default Structure
ChEBI IDCHEBI:174009
ChEBI NameEthyl aconitate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H10O6
Net Charge0
Average Mass202.162
Monoisotopic Mass202.04774
SMILESCCOC(=O)/C=C(/CC(=O)O)C(=O)O
InChIInChI=1S/C8H10O6/c1-2-14-7(11)4-5(8(12)13)3-6(9)10/h4H,2-3H2,1H3,(H,9,10)(H,12,13)/b5-4-
InChIKeyANIDMCPGEUWERH-PLNGDYQASA-N
ChEBI Ontology
Outgoing Relation(s)
Ethyl aconitate (CHEBI:174009) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2Z)-2-(2-ethoxy-2-oxoethylidene)butanedioic acid
Manual XrefsDatabases
30777482ChemSpider
HMDB0040275HMDB
Registry NumbersSources
CAS:1135255-56-9ChemIDplus