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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:(2S)-2-[(4R,5S)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-2-yl]-1-propanol
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Accession:CHEBI:119527 term browser browse the term
Definition:A methoxybenzene that has formula C28H35N3O5S.
Synonyms:related_synonym: Formula=C28H35N3O5S;   InChI=1S/C28H35N3O5S/c1-20-16-31(21(2)19-32)37(33,34)28-9-8-24(23-6-5-7-25(14-23)35-4)15-26(28)36-27(20)18-30(3)17-22-10-12-29-13-11-22/h5-15,20-21,27,32H,16-19H2,1-4H3/t20-,21+,27-/m1/s1;   InChIKey=RUWJTSGBQQPZMY-PBDKAQRYSA-N;   SMILES=C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC(=CC=C3)OC)O[C@@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO
 xref: LINCS:LSM-30974


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  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
                      (2S)-2-[(4R,5S)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-2-yl]-1-propanol 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                carbocyclic compound 0
                                  benzenoid aromatic compound 0
                                    benzenes 0
                                      methoxybenzenes 0
                                        (2S)-2-[(4R,5S)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-2-yl]-1-propanol 0
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