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CHEBI:191079 - Butyl phthalyl butylglycolate

ChEBI IDCHEBI:191079
ChEBI NameButyl phthalyl butylglycolate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O6
Net Charge0
Average Mass336.384
Monoisotopic Mass336.15729
SMILESCCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC
InChIInChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3
InChIKeyGOJCZVPJCKEBQV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Butyl phthalyl butylglycolate (CHEBI:191079) is a benzoate ester (CHEBI:36054)
IUPAC Name 
2-O-(2-butoxy-2-oxoethyl) 1-O-butyl benzene-1,2-dicarboxylate
Manual XrefsDatabases
6560ChemSpider
Registry NumbersSources
CAS:85-70-1ChemIDplus