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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:Nitrothal-isopropyl
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Accession:CHEBI:82026 term browser browse the term
Definition:A nitrobenzoic acid that has formula C14H17NO6.
Synonyms:related_synonym: Formula=C14H17NO6;   InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3;   InChIKey=VJAWBEFMCIINFU-UHFFFAOYSA-N;   SMILES=CC(C)OC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)OC(C)C
 xref: CAS:10552-74-6;   KEGG:C18873;   PPDB:1064



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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          nitro group 0
            nitro compound 0
              C-nitro compound 0
                nitrobenzoic acid 0
                  Nitrothal-isopropyl 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          fatty acid derivative 0
                                            fatty alcohol 0
                                              secondary fatty alcohol 0
                                                propan-2-ol 0
                                                  isopropyl ester 0
                                                    Nitrothal-isopropyl 0
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