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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:artesunate
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Accession:CHEBI:63918 term browser browse the term
Definition:An artemisinin derivative that is the hemisuccinate ester of the lactol resulting from the reduction of the lactone carbonyl group of artemisinin. It is used, generally as the sodium salt, for the treatment of malaria.
Synonyms:exact_synonym: 4-oxo-4-{[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10-yl]oxy}butanoic acid
 related_synonym: AS;   Formula=C19H28O8;   InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1;   InChIKey=FIHJKUPKCHIPAT-AHIGJZGOSA-N;   SMILES=[H][C@@]12CC[C@@]3(C)OO[C@@]11[C@@]([H])(CC[C@H]2C)[C@@H](C)[C@H](OC(=O)CCC(O)=O)O[C@]1([H])O3;   artesunato;   artesunatum;   artesunic acid;   butanedioic acid, 1-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester;   dihydroqinghasu hemsuccinate
 alt_id: MESH:C039726
 xref: CAS:182824-33-5;   CAS:88495-63-0;   Drug_Central:247;   KEGG:D02482
 xref_mesh: MESH:C039726
 xref: Reaxys:6003212;   Wikipedia:Artesunate


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Path 1
Term Annotations click to browse term
  CHEBI ontology 874
    chemical entity 874
      atom 859
        nonmetal atom 839
          carbon atom 821
            organic molecular entity 821
              semisynthetic derivative 9
                artesunate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 874
    subatomic particle 859
      composite particle 859
        hadron 859
          baryon 859
            nucleon 859
              atomic nucleus 859
                atom 859
                  main group element atom 849
                    p-block element atom 846
                      carbon group element atom 822
                        carbon atom 821
                          organic molecular entity 821
                            organic group 391
                              organic divalent group 389
                                organodiyl group 389
                                  carbonyl group 388
                                    carbonyl compound 388
                                      dicarboxylic acids and O-substituted derivatives 12
                                        dicarboxylic acid 12
                                          alpha,omega-dicarboxylic acid 4
                                            succinic acid 4
                                              succinate ester 4
                                                hemisuccinate 4
                                                  artesunate 0
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