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CHEBI:189193 - Bis(2-ethylhexyl) 2-butenedioate

ChEBI IDCHEBI:189193
ChEBI NameBis(2-ethylhexyl) 2-butenedioate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H36O4
Net Charge0
Average Mass340.504
Monoisotopic Mass340.26136
SMILESCCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC
InChIInChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3
InChIKeyROPXFXOUUANXRR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Bis(2-ethylhexyl) 2-butenedioate (CHEBI:189193) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
bis(2-ethylhexyl) but-2-enedioate
Manual XrefsDatabases
8539ChemSpider