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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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Term Annotations click to browse term
  CHEBI ontology 503
    role 503
      biological role 496
        biochemical role 460
          volatile oil component 43
            2-ethylhexan-1-ol 0
              mono(2-ethylhexyl) phthalate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 503
    subatomic particle 496
      composite particle 496
        hadron 503
          baryon 496
            nucleon 503
              atomic nucleus 496
                atom 496
                  main group element atom 496
                    p-block element atom 496
                      carbon group element atom 485
                        carbon atom 484
                          organic molecular entity 477
                            heteroorganic entity 478
                              organochalcogen compound 430
                                organooxygen compound 423
                                  carbon oxoacid 368
                                    carboxylic acid 368
                                      aromatic carboxylic acid 20
                                        benzoic acids 16
                                          benzenedicarboxylic acid 1
                                            phthalic acid 1
                                              phthalate ester 1
                                                phthalic acid monoester 0
                                                  mono(2-ethylhexyl) phthalate 0
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