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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:Thuggacin cmc A
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Accession:CHEBI:222971 term browser browse the term
Synonyms:exact_synonym: (2E,8Z,10E)-12,14-dihydroxy-15-(hydroxymethyl)-3-methyl-6-[(5E,7E)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dienyl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one
 related_synonym: Formula=C30H43NO8S;   InChI=1S/C30H43NO8S/c1-6-17(2)12-18(3)26(35)20(5)27(36)28(37)25-11-9-7-8-10-22(33)14-24(34)23(15-32)29-31-21(16-40-29)13-19(4)30(38)39-25/h6-10,12-13,16,20,22-28,32-37H,11,14-15H2,1-5H3/b9-7-,10-8+,17-6+,18-12+,19-13+;   InChIKey=AXCDOYCLDNZAPV-FUOUZSILSA-N;   SMILES=S1C2=NC(=C1)C=C(C(=O)OC(C(O)C(O)C(C(O)/C(=C/C(=C/C)/C)/C)C)CC=CC=CC(CC(C2CO)O)O)C


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26050
    chemical entity 26029
      atom 26025
        nonmetal atom 25513
          sulfur atom 20138
            sulfur molecular entity 20138
              organosulfur compound 19550
                organosulfur heterocyclic compound 10845
                  thiazoles 2093
                    Thuggacin cmc A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26050
    subatomic particle 26025
      composite particle 26025
        hadron 26025
          baryon 26025
            nucleon 26025
              atomic nucleus 26025
                atom 26025
                  main group element atom 25850
                    p-block element atom 25850
                      carbon group element atom 25447
                        carbon atom 25405
                          organic molecular entity 25405
                            organic molecule 25233
                              organic cyclic compound 24287
                                organic heterocyclic compound 22334
                                  heteroarene 18785
                                    monocyclic heteroarene 16147
                                      azole 15702
                                        thiazoles 2093
                                          Thuggacin cmc A 0
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