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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,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
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Accession:CHEBI:101771 term browser browse the term
Definition:A sulfonamide that has formula C23H28N2O7S.
Synonyms:related_synonym: Formula=C23H28N2O7S;   InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19+,21-,23-/m0/s1;   InChIKey=GQLDDSCVBIFPRR-RZNKLVQRSA-N;   SMILES=COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4
 xref: LINCS:LSM-13133



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Path 1
Term Annotations click to browse term
  CHEBI ontology 26503
    chemical entity 26483
      atom 26479
        nonmetal atom 25741
          sulfur atom 20393
            sulfur molecular entity 20393
              organosulfur compound 19876
                sulfonamide 5335
                  2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26503
    subatomic particle 26479
      composite particle 26479
        hadron 26479
          baryon 26479
            nucleon 26479
              atomic nucleus 26479
                atom 26479
                  main group element atom 26216
                    p-block element atom 26216
                      chalcogen 25125
                        oxygen atom 24932
                          oxygen molecular entity 24932
                            hydroxides 24116
                              oxoacid 23051
                                chalcogen oxoacid 14562
                                  sulfur oxoacid 14312
                                    sulfonic acid 12032
                                      sulfonic acid derivative 12032
                                        sulfonamide 5335
                                          2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide 0
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