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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
    Term Annotations click to browse term
      CHEBI ontology 22219
        role 22202
          biological role 22171
            biochemical role 21494
              volatile oil component 7981
                2-ethylhexan-1-ol 2178
                  mono(2-ethylhexyl) phthalate 2166
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 22219
        subatomic particle 22181
          composite particle 22181
            hadron 22211
              baryon 22181
                nucleon 22211
                  atomic nucleus 22181
                    atom 22181
                      main group element atom 22142
                        p-block element atom 22142
                          carbon group element atom 21937
                            carbon atom 21877
                              organic molecular entity 21848
                                heteroorganic entity 21544
                                  organochalcogen compound 21041
                                    organooxygen compound 20861
                                      carbon oxoacid 19635
                                        carboxylic acid 19631
                                          aromatic carboxylic acid 12864
                                            benzoic acids 12822
                                              benzenedicarboxylic acid 8897
                                                phthalic acid 8681
                                                  phthalate ester 8661
                                                    phthalic acid monoester 2608
                                                      mono(2-ethylhexyl) phthalate 2166
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