CHEBI:174009 - Ethyl aconitate

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ChEBI Name Ethyl aconitate
ChEBI ID CHEBI:174009
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C8H10O6
Net Charge 0
Average Mass 202.162
Monoisotopic Mass 202.04774
InChI InChI=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-
InChIKey ANIDMCPGEUWERH-PLNGDYQASA-N
SMILES O(CC)C(=O)\C=C(\CC(O)=O)/C(O)=O
ChEBI Ontology
Outgoing Ethyl aconitate (CHEBI:174009) is a carbonyl compound (CHEBI:36586)
IUPAC Name
(2Z)-2-(2-ethoxy-2-oxoethylidene)butanedioic acid
Manual Xrefs Databases
30777482 ChemSpider
HMDB0040275 HMDB
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Registry Number Type Source
1135255-56-9 CAS Registry Number ChemIDplus