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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-[(2R,4aS,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
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Accession:CHEBI:101070 term browser browse the term
Definition:A sulfonamide that has formula C31H32FN3O6S.
Synonyms:related_synonym: Formula=C31H32FN3O6S;   InChI=1S/C31H32FN3O6S/c1-35-26-12-11-23(17-30(36)33-22-14-19-6-2-3-7-20(19)15-22)41-28(26)18-40-27-13-10-21(16-24(27)31(35)37)34-42(38,39)29-9-5-4-8-25(29)32/h2-10,13,16,22-23,26,28,34H,11-12,14-15,17-18H2,1H3,(H,33,36)/t23-,26+,28-/m1/s1;   InChIKey=WCNQFBRPFNRKRV-RXWNPYQGSA-N;   SMILES=CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NC5CC6=CC=CC=C6C5
 xref: LINCS:LSM-12442


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19893
    chemical entity 19891
      atom 19891
        nonmetal atom 19814
          sulfur atom 17766
            sulfur molecular entity 17766
              organosulfur compound 17464
                sulfonamide 5322
                  2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      chalcogen 19581
                        oxygen atom 19553
                          oxygen molecular entity 19553
                            hydroxides 19358
                              oxoacid 18794
                                chalcogen oxoacid 13797
                                  sulfur oxoacid 13586
                                    sulfonic acid 11636
                                      sulfonic acid derivative 11636
                                        sulfonamide 5322
                                          2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide 0
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