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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-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione
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Accession:CHEBI:91760 term browser browse the term
Definition:A dimethoxybenzene that has formula C19H21NO5S.
Synonyms:related_synonym: Formula=C19H21NO5S;   InChI=1S/C19H21NO5S/c1-11-8-15(21)18(19(22)25-11)14-10-17(26-7-6-20-14)13-5-4-12(23-2)9-16(13)24-3/h4-5,8-9,17,20H,6-7,10H2,1-3H3;   InChIKey=FJDFKOSFDPIMBV-UHFFFAOYSA-N;   SMILES=CC1=CC(=O)C(=C2CC(SCCN2)C3=C(C=C(C=C3)OC)OC)C(=O)O1
 xref: LINCS:LSM-1641


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Term Annotations click to browse term
  CHEBI ontology 225
    chemical entity 225
      atom 225
        nonmetal atom 218
          oxygen atom 185
            oxygen molecular entity 185
              organooxygen compound 168
                ether 58
                  aromatic ether 56
                    methoxybenzenes 6
                      dimethoxybenzene 1
                        3-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 225
    subatomic particle 225
      composite particle 225
        hadron 225
          baryon 225
            nucleon 225
              atomic nucleus 225
                atom 225
                  main group element atom 218
                    p-block element atom 218
                      carbon group element atom 207
                        carbon atom 206
                          organic molecular entity 206
                            organic molecule 200
                              organic cyclic compound 184
                                carbocyclic compound 91
                                  benzenoid aromatic compound 89
                                    benzenes 83
                                      methoxybenzenes 6
                                        dimethoxybenzene 1
                                          3-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.