RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0138845
RefMet nameArtemisin
Systematic name(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
SynonymsPubChem Synonyms
Exact mass282.146725 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC15H22O5View other entries in RefMet with this formula
Molecular descriptors
Molfile28282 (Download molfile/View MW Metabolite Database details)
InChIInChI=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
InChIKeyBLUAFEHZUWYNDE-NNWCWBAJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@H]3[C@]42[C@H]1CC[C@](C)(O3)OO4
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Chemical/Biochemical Classification
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassC15 isoprenoids
Distribution of Artemisin in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Artemisin
External Links
Pubchem CID68827
LIPID MAPSLMPR0103190003
ChEBI ID223316
KEGG IDC09344
HMDB IDHMDB0248621
EPA CompToxDTXCID60819317
Spectral data for Artemisin standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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