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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:2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
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Accession:CHEBI:117314 term browser browse the term
Definition:A sulfonamide that has formula C28H29FN2O7S.
Synonyms:related_synonym: Formula=C28H29FN2O7S;   InChI=1S/C28H29FN2O7S/c1-36-20-6-3-7-22(12-20)39(34,35)31-19-8-9-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-4-2-5-18(29)10-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24-,26+,28+/m1/s1;   InChIKey=GERXZWRQFCUSQI-DZXBDMBVSA-N;   SMILES=COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC(=CC=C5)F
 xref: LINCS:LSM-28763


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Term Annotations click to browse term
  CHEBI ontology 22306
    chemical entity 22305
      atom 22301
        nonmetal atom 22131
          sulfur atom 18739
            sulfur molecular entity 18739
              organosulfur compound 18207
                sulfonamide 5325
                  2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22306
    subatomic particle 22301
      composite particle 22301
        hadron 22301
          baryon 22301
            nucleon 22301
              atomic nucleus 22301
                atom 22301
                  main group element atom 22181
                    p-block element atom 22181
                      chalcogen 21511
                        oxygen atom 21489
                          oxygen molecular entity 21489
                            hydroxides 20858
                              oxoacid 20144
                                chalcogen oxoacid 14404
                                  sulfur oxoacid 14190
                                    sulfonic acid 12047
                                      sulfonic acid derivative 12047
                                        sulfonamide 5325
                                          2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide 0
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