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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 19844
    chemical entity 19842
      group 19800
        inorganic group 19395
          nitro group 11133
            nitro compound 11133
              C-nitro compound 10859
                nitrobenzoic acid 30
                  Nitrothal-isopropyl 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbon oxoacid 18634
                                    carboxylic acid 18631
                                      monocarboxylic acid 18004
                                        fatty acid 16812
                                          fatty acid derivative 8960
                                            fatty alcohol 6109
                                              secondary fatty alcohol 799
                                                propan-2-ol 799
                                                  isopropyl ester 773
                                                    Nitrothal-isopropyl 0
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