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CHEBI:184113 - Tri-2-ethylhexyl trimellitate

ChEBI IDCHEBI:184113
ChEBI NameTri-2-ethylhexyl trimellitate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O6
Net Charge0
Average Mass546.789
Monoisotopic Mass546.39204
SMILESCCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)c(C(=O)OCC(CC)CCCC)c1
InChIInChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3
InChIKeyKRADHMIOFJQKEZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
Tri-2-ethylhexyl trimellitate (CHEBI:184113) is a benzoate ester (CHEBI:36054)
IUPAC Name 
tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
Manual XrefsDatabases
17681ChemSpider