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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:monoisopropyl phthalate
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Accession:CHEBI:132587 term browser browse the term
Definition:A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isopropanol.
Synonyms:exact_synonym: 2-{[(propan-2-yl)oxy]carbonyl}benzoic acid
 related_synonym: 1,2-Benzenedicarboxylic acid, 1-(1-methylethyl) ester;   1,2-Benzenedicarboxylic acid, mono(1-methylethyl) ester;   1,2-benzenedicarboxylic acid monoisopropyl ester;   2-(isopropyloxycarbonyl)benzoic acid;   Formula=C11H12O4;   InChI=1S/C11H12O4/c1-7(2)15-11(14)9-6-4-3-5-8(9)10(12)13/h3-7H,1-2H3,(H,12,13);   InChIKey=CXJOEMLCEGZVPL-UHFFFAOYSA-N;   SMILES=C1(=CC=CC=C1C(=O)OC(C)C)C(=O)O;   isoproyl hydrogen phthalate;   mono-2-propyl phthalate;   phthalic acid monoisopropyl ester
 xref: CAS:35118-50-4;   PMID:12913283;   Reaxys:2105857


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Term Annotations click to browse term
  CHEBI ontology 19921
    role 19893
      application 19734
        pharmaceutical 19573
          drug 19573
            anti-estrogen 52
              monoisopropyl phthalate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      carbon group element atom 19804
                        carbon atom 19801
                          organic molecular entity 19801
                            heteroorganic entity 19558
                              organochalcogen compound 19317
                                organooxygen compound 19233
                                  carbon oxoacid 18695
                                    carboxylic acid 18692
                                      monocarboxylic acid 18028
                                        fatty acid 16848
                                          fatty acid derivative 8985
                                            fatty alcohol 6132
                                              secondary fatty alcohol 803
                                                propan-2-ol 803
                                                  isopropyl ester 777
                                                    monoisopropyl phthalate 0
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