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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:2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid
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Accession:CHEBI:77649 term browser browse the term
Definition:A monocarboxylic acid that is 2-hydroxy-2-methylpropanoic acid in which ther tertiary hydroxy group has been converted into the corresponding p-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl ether.
Synonyms:related_synonym: Formula=C20H22O3;   InChI=1S/C20H22O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,21,22);   InChIKey=XJGBDJOMWKAZJS-UHFFFAOYSA-N;   SMILES=CC(C)(Oc1ccc(cc1)C1CCCc2ccccc12)C(O)=O
 xref: CAS:3771-19-5;   KEGG:C11371;   KEGG:D05102
 xref_mesh: MESH:D009255


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5090
    role 5055
      chemical role 851
        donor 581
          Bronsted acid 437
            oxoacid 429
              carbon oxoacid 393
                carboxylic acid 388
                  monocarboxylic acid 229
                    2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid 0
                      (R)-nafenopin + 0
                      (S)-nafenopin + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5090
    subatomic particle 5081
      composite particle 5081
        hadron 5081
          baryon 5081
            nucleon 5081
              atomic nucleus 5081
                atom 5081
                  main group element atom 5051
                    p-block element atom 5048
                      carbon group element atom 4966
                        carbon atom 4965
                          organic molecular entity 4965
                            heteroorganic entity 4805
                              organochalcogen compound 4767
                                organooxygen compound 4728
                                  carbon oxoacid 393
                                    carboxylic acid 388
                                      monocarboxylic acid 229
                                        2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid 0
                                          (R)-nafenopin + 0
                                          (S)-nafenopin + 0
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