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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:pyrisoxazole
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Accession:CHEBI:83823 term browser browse the term
Definition:A diastereoisomeric mixture of (3R,5S)- and (3R,5R)-pyrisoxazole. A novel isomeric fungicide primarily used for control of control tomato botrytis and also for fungal diseases of wheat and other crops.
Synonyms:exact_synonym: 3-[(3R)-5-(4-chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine
 related_synonym: Dingjunezuo;   Formula=C16H17ClN2O;   InChI=1S/C16H17ClN2O/c1-16(13-4-3-9-18-11-13)10-15(20-19(16)2)12-5-7-14(17)8-6-12/h3-9,11,15H,10H2,1-2H3/t15?,16-/m1/s1;   InChIKey=DHTJFQWHCVTNRY-OEMAIJDKSA-N;   SMILES=CN1OC(C[C@]1(C)c1cccnc1)c1ccc(Cl)cc1
 xref: CAS:847749-37-5;   PPDB:2616;   Pesticides:pyrisoxazole;   Reaxys:28750612


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19761
    chemical entity 19761
      chemical substance 12190
        mixture 11141
          diastereoisomeric mixture 432
            pyrisoxazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic molecule 19493
                              organic cyclic compound 19318
                                carbocyclic compound 18296
                                  benzenoid aromatic compound 17400
                                    benzenes 17172
                                      chlorobenzenes 13593
                                        monochlorobenzenes 9714
                                          3-[5-(4-chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine 0
                                            (3R,5R)-pyrisoxazole 0
                                              pyrisoxazole 0
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