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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:monobenzyl phthalate
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Accession:CHEBI:132612 term browser browse the term
Definition:A phthalic acid monoester resulting from the formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of benzyl alcohol. It is a major metabolite of the plasticiser butyl benzyl phthalate (BBP).
Synonyms:exact_synonym: 2-[(benzyloxy)carbonyl]benzoic acid
 related_synonym: 1,2-benzenedicarboxylic acid, mono(phenylmethyl) ester;   Formula=C15H12O4;   InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17);   InChIKey=XIKIUQUXDNHBFR-UHFFFAOYSA-N;   MBeP;   SMILES=C=1C=CC(=C(C1)C(=O)OCC=2C=CC=CC2)C(=O)O;   benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester;   benzene-1,2-dicarboxylic acid, monobenzyl ester;   benzyl hydrogen phthalate;   mono(phenylmethyl) 1,2-benzenedicarboxylate;   mono-benzyl phthalate;   o-(benzyloxycarbonyl)benzoic acid
 xref: CAS:2528-16-7
 xref_mesh: MESH:C103325
 xref: PMID:12849851;   PMID:14555196;   PMID:26168976;   PMID:26586408;   PMID:26743198;   PMID:26878646;   PMID:8685916;   PMID:8888408;   Reaxys:1884373


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5066
    role 5030
      chemical role 829
        antioxidant 351
          benzyl alcohol 0
            monobenzyl phthalate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    p-block element atom 5023
                      carbon group element atom 4940
                        carbon atom 4939
                          organic molecular entity 4939
                            heteroorganic entity 4779
                              organochalcogen compound 4741
                                organooxygen compound 4703
                                  carbon oxoacid 370
                                    carboxylic acid 366
                                      aromatic carboxylic acid 138
                                        benzoic acids 136
                                          benzenedicarboxylic acid 39
                                            phthalic acid 39
                                              phthalate ester 39
                                                phthalic acid monoester 39
                                                  monobenzyl phthalate 0
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