Mrv0541 05161409142D          

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M  END
> <ID>
CHEBI:223316

> <NAME>
(+)-artemisinin

> <DEFINITION>
A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:8718

> <SYNONYM>
Quing Hau Sau; Qinghaosu; Qinghaosu; Qing Hau Sau; QHS; Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one; huanghuahaosu; artemisinine; artemisinina; arteannuin; 1,5,9-trimethyl-(1R,4S,5R,9R,12S,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

> <IUPAC_NAME>
(3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyloctahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10(3H)-one

> <INN>
artemisininum; artemisinin

> <FORMULA>
C15H22O5

> <MASS>
282.33220

> <MONOISOTOPIC_MASS>
282.14672

> <CHARGE>
0

> <SMILES>
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4

> <INCHI>
InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1

> <INCHIKEY>
BLUAFEHZUWYNDE-NNWCWBAJSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4194670

> <CAS_REGISTRY_NUMBER>
63968-64-9

> <GMELIN_REGISTRY_NUMBER>
1755493

> <REAXYS_REGISTRY_NUMBER>
4194670

> <CHEMIDPLUS>
63968-64-9

> <KEGG_COMPOUND_ACCESSION>
C09538

> <KEGG_DRUG_ACCESSION>
D02481

> <KNAPSACK_ACCESSION>
C00003359

> <LINCS_ACCESSION>
LSM-6546

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0103190003

> <METACYC_ACCESSION>
CPD-7561

> <NIST_CHEMISTRY_WEBBOOK>
63968-64-9

> <WIKIPEDIA_ACCESSION>
Artemisinin

> <PUBMED_CITATION>
15330155; 18008167; 19090980; 22174561; 7877142; 8544181

$$$$