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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:(2R)-2-[(4S,5R)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-2-yl]-1-propanol
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Accession:CHEBI:114050 term browser browse the term
Definition:An aromatic ether that has formula C19H29BrN2O4S.
Synonyms:related_synonym: Formula=C19H29BrN2O4S;   InChI=1S/C19H29BrN2O4S/c1-13-9-22(14(2)12-23)27(24,25)19-7-6-16(20)8-17(19)26-18(13)11-21(3)10-15-4-5-15/h6-8,13-15,18,23H,4-5,9-12H2,1-3H3/t13-,14+,18-/m0/s1;   InChIKey=NQKVBKPKEYEFNC-IYOUNJFTSA-N;   SMILES=C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@H]1CN(C)CC3CC3)[C@H](C)CO
 xref: LINCS:LSM-25482


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Term Annotations click to browse term
  CHEBI ontology 26041
    chemical entity 26020
      group 25883
        polyatomic entity 25883
          molecule 25273
            organic molecule 25228
              organic cyclic compound 24281
                organic aromatic compound 23919
                  aromatic ether 19075
                    (2R)-2-[(4S,5R)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-2-yl]-1-propanol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    main group molecular entity 25841
                      p-block molecular entity 25836
                        carbon group molecular entity 25441
                          organic molecular entity 25399
                            heteroorganic entity 24773
                              organochalcogen compound 24384
                                organooxygen compound 24061
                                  ether 19860
                                    aromatic ether 19075
                                      (2R)-2-[(4S,5R)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-2-yl]-1-propanol 0
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