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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:4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester
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Accession:CHEBI:94432 term browser browse the term
Definition:A benzoxadiazole that has formula C19H21N3O5.
Synonyms:related_synonym: Formula=C19H21N3O5;   InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,14,16H,1-5H3;   InChIKey=QVGAECMHUSHDCG-UHFFFAOYSA-N;   SMILES=CC1=NC(=C(C(C1C(=O)OC)C2=CC=CC3=NON=C32)C(=O)OC(C)C)C
 xref: LINCS:LSM-5130


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      application 19391
        fuel 10797
          methanol 3062
            methyl ester 3051
              4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      chalcogen 19360
                        oxygen atom 19321
                          oxygen molecular entity 19321
                            hydroxides 19066
                              organic hydroxy compound 18630
                                alcohol 14984
                                  aliphatic alcohol 11104
                                    alkyl alcohol 11058
                                      methanol 3062
                                        methyl ester 3051
                                          4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester 0
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