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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:valerylsalicylic acid
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Accession:CHEBI:78250 term browser browse the term
Definition:A valerate ester that is salicylic acid in which the phenolic hydrogen is replaced by a valeryl (pentanoyl) group.
Synonyms:exact_synonym: 2-(pentanoyloxy)benzoic acid
 related_synonym: 2-pentanoyloxybenzoic acid;   2-valeryloxybenzoic acid;   Formula=C12H14O4;   InChI=1S/C12H14O4/c1-2-3-8-11(13)16-10-7-5-4-6-9(10)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15);   InChIKey=WJHZBTMHUNVIKC-UHFFFAOYSA-N;   O-pentanoylsalicylic acid;   O-valerylsalicylic acid;   SMILES=CCCCC(=O)Oc1ccccc1C(O)=O;   Salicylic acid, valerate;   valeryl salicylate
 xref: CAS:64206-54-8;   LINCS:LSM-25643;   PMID:7872783;   PMID:9689531;   PMID:9836494;   PMID:9927229;   PMID:9990676;   Reaxys:3292055


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        antimicrobial agent 18104
          antifungal agent 16832
            salicylic acid 1542
              valerylsalicylic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbon oxoacid 18597
                                    carboxylic acid 18594
                                      aromatic carboxylic acid 12571
                                        benzoic acids 12570
                                          benzoic acid 5327
                                            hydroxybenzoic acid 4794
                                              monohydroxybenzoic acid 2613
                                                salicylic acid 1542
                                                  valerylsalicylic acid 0
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