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CHEBI:184041 - Di(2-nonyl) phthalate

ChEBI IDCHEBI:184041
ChEBI NameDi(2-nonyl) phthalate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O4
Net Charge0
Average Mass418.618
Monoisotopic Mass418.30831
SMILESCCCCCCCC(C)OC(=O)c1ccccc1C(=O)OC(C)CCCCCCC
InChIInChI=1S/C26H42O4/c1-5-7-9-11-13-17-21(3)29-25(27)23-19-15-16-20-24(23)26(28)30-22(4)18-14-12-10-8-6-2/h15-16,19-22H,5-14,17-18H2,1-4H3
InChIKeyMZHUXOCCLPGHKA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
Di(2-nonyl) phthalate (CHEBI:184041) is a benzoate ester (CHEBI:36054)
IUPAC Name 
dinonan-2-yl benzene-1,2-dicarboxylate