CHEBI:184041 - Di(2-nonyl) phthalate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Di(2-nonyl) phthalate
ChEBI ID CHEBI:184041
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42O4
Net Charge 0
Average Mass 418.618
Monoisotopic Mass 418.30831
InChI InChI=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
InChIKey MZHUXOCCLPGHKA-UHFFFAOYSA-N
SMILES O(C(CCCCCCC)C)C(=O)C=1C(C(OC(CCCCCCC)C)=O)=CC=CC1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing Di(2-nonyl) phthalate (CHEBI:184041) is a benzoate ester (CHEBI:36054)
IUPAC Name
dinonan-2-yl benzene-1,2-dicarboxylate