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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 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              organooxygen compound 0
                ether 0
                  aromatic ether 0
                    methoxybenzenes 0
                      dimethoxybenzene 0
                        (3,5-dimethoxyphenyl)-(4-methylsulfonyl-1-piperazinyl)methanone 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
                            organic molecule 0
                              organic cyclic compound 0
                                carbocyclic compound 0
                                  benzenoid aromatic compound 0
                                    benzenes 0
                                      methoxybenzenes 0
                                        dimethoxybenzene 0
                                          (3,5-dimethoxyphenyl)-(4-methylsulfonyl-1-piperazinyl)methanone 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.