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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,5S)-8-(1-cyclohexenyl)-5-[(dimethylamino)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:129342 term browser browse the term
Definition:An aromatic ether that has formula C22H34N2O4S.
Synonyms:related_synonym: Formula=C22H34N2O4S;   InChI=1S/C22H34N2O4S/c1-16-13-24(17(2)15-25)29(26,27)22-11-10-19(18-8-6-5-7-9-18)12-20(22)28-21(16)14-23(3)4/h8,10-12,16-17,21,25H,5-7,9,13-15H2,1-4H3/t16-,17+,21+/m0/s1;   InChIKey=GXGOFMFIUNYHNH-CSODHUTKSA-N;   SMILES=C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@@H]1CN(C)C)[C@H](C)CO
 xref: LINCS:LSM-40893

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  CHEBI ontology 0
    chemical entity 0
      group 0
        polyatomic entity 0
          molecule 0
            organic molecule 0
              organic cyclic compound 0
                organic aromatic compound 0
                  aromatic ether 0
                    (2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-2-yl]-1-propanol 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      p-block molecular entity 0
                        carbon group molecular entity 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  ether 0
                                    aromatic ether 0
                                      (2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-2-yl]-1-propanol 0
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