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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:mono(2-ethylhexyl) phthalate
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Accession:CHEBI:17243 term browser browse the term
Definition:The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.
Synonyms:exact_synonym: 2-(2-ethylhexyloxycarbonyl)benzoic acid
 related_synonym: 1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester;   2-([(2-ethylhexyl)oxy]carbonyl)benzoic acid;   2-Ethylhexyl phthalate;   2-ethylhexyl hydrogen phthalate;   Formula=C16H22O4;   InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18);   InChIKey=DJDSLBVSSOQSLW-UHFFFAOYSA-N;   MEHP;   SMILES=CCCCC(CC)COC(=O)c1ccccc1C(O)=O;   monoethylhexyl phthalate;   phthalic acid, 2-ethylhexyl ester
 alt_id: CHEBI:1094;   CHEBI:11575
 xref: Beilstein:3206630;   CAS:4376-20-9;   KEGG:C03343;   LINCS:LSM-36855
 xref_mesh: MESH:C016599
 cyclic_relationship: is_conjugate_acid_of CHEBI:58071


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    Path 1
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      CHEBI ontology 26447
        role 26279
          biological role 26247
            biochemical role 25463
              volatile oil component 8085
                2-ethylhexan-1-ol 2141
                  mono(2-ethylhexyl) phthalate 2130
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 26447
        subatomic particle 26412
          composite particle 26412
            hadron 26423
              baryon 26412
                nucleon 26423
                  atomic nucleus 26412
                    atom 26412
                      main group element atom 26169
                        p-block element atom 26169
                          carbon group element atom 25605
                            carbon atom 25568
                              organic molecular entity 25557
                                heteroorganic entity 24956
                                  organochalcogen compound 24549
                                    organooxygen compound 24126
                                      carbon oxoacid 22810
                                        carboxylic acid 22790
                                          aromatic carboxylic acid 13503
                                            benzoic acids 13459
                                              benzenedicarboxylic acid 8833
                                                phthalic acid 8592
                                                  phthalate ester 8575
                                                    phthalic acid monoester 2568
                                                      mono(2-ethylhexyl) phthalate 2130
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