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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:(3,5-dimethoxyphenyl)-(4-methylsulfonyl-1-piperazinyl)methanone
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Accession:CHEBI:107845 term browser browse the term
Definition:A dimethoxybenzene that has formula C14H20N2O5S.
Synonyms:related_synonym: Formula=C14H20N2O5S;   InChI=1S/C14H20N2O5S/c1-20-12-8-11(9-13(10-12)21-2)14(17)15-4-6-16(7-5-15)22(3,18)19/h8-10H,4-7H2,1-3H3;   InChIKey=NUZMHJAYCQKTDQ-UHFFFAOYSA-N;   SMILES=COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C)OC
 xref: LINCS:LSM-19222


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 21450
    chemical entity 21448
      atom 21434
        nonmetal atom 21301
          oxygen atom 20400
            oxygen molecular entity 20400
              organooxygen compound 19828
                ether 16210
                  aromatic ether 15666
                    methoxybenzenes 1848
                      dimethoxybenzene 94
                        (3,5-dimethoxyphenyl)-(4-methylsulfonyl-1-piperazinyl)methanone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21450
    subatomic particle 21434
      composite particle 21434
        hadron 21434
          baryon 21434
            nucleon 21434
              atomic nucleus 21434
                atom 21434
                  main group element atom 21329
                    p-block element atom 21329
                      carbon group element atom 21100
                        carbon atom 20999
                          organic molecular entity 20999
                            organic molecule 20872
                              organic cyclic compound 20390
                                carbocyclic compound 18476
                                  benzenoid aromatic compound 17790
                                    benzenes 17416
                                      methoxybenzenes 1848
                                        dimethoxybenzene 94
                                          (3,5-dimethoxyphenyl)-(4-methylsulfonyl-1-piperazinyl)methanone 0
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