RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200617
RefMet name	Artemisinin
Systematic name	2-azanyl-5-methylsulfanyl-pentanoic acid
Synonyms	PubChem Synonyms
Exact mass	282.146724 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C15H22O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	69934 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	BLUAFEHZUWYNDE-BHQSRUDESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@@H]1CCC2[C@@H](C)C(=O)O[C@H]3[C@]42C1CCC(C)(O3)OO4 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Prenol Lipids
Main Class	Isoprenoids
Sub Class	C15 isoprenoids
Distribution of Artemisinin in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Artemisinin
External Links
Pubchem CID	20105830
ChEBI ID	223316
KEGG ID	C09538
EPA CompTox	DTXCID10209663
Spectral data for Artemisinin standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)