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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 22441
        role 22425
          biological role 22424
            biochemical role 21654
              volatile oil component 8201
                2-ethylhexan-1-ol 2628
                  mono(2-ethylhexyl) phthalate 2622
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 22441
        subatomic particle 22435
          composite particle 22435
            hadron 22435
              baryon 22435
                nucleon 22435
                  atomic nucleus 22435
                    atom 22435
                      main group element atom 22321
                        p-block element atom 22321
                          carbon group element atom 22125
                            carbon atom 22058
                              organic molecular entity 22058
                                heteroorganic entity 21705
                                  organochalcogen compound 21195
                                    organooxygen compound 21038
                                      carbon oxoacid 19818
                                        carboxylic acid 19814
                                          aromatic carboxylic acid 14331
                                            benzoic acids 14299
                                              benzenedicarboxylic acid 11394
                                                phthalic acid 11240
                                                  phthalate ester 11240
                                                    phthalic acid monoester 3081
                                                      mono(2-ethylhexyl) phthalate 2622
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