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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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      atom 0
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                artesunate 0
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                                            succinic acid 0
                                              succinate ester 0
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                                                  artesunate 0
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