RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0202417
RefMet name	Tepraloxydim
Systematic name	2-[(E)-N-[(E)-3-chloroallyloxy]-C-ethyl-carbonimidoyl]-3-hydroxy-5-tetrahydropyran-4-yl-cyclohex-2-en-1-one
Synonyms	PubChem Synonyms
Exact mass	341.139387 (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	C17H24ClNO4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	210986 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	IOYNQIMAUDJVEI-BMVIKAAMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)C1CCOCC1)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic oxygen compounds
Main Class	Carbonyl compounds
Sub Class	Cyclohexanones
Distribution of Tepraloxydim 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 Tepraloxydim
External Links
Pubchem CID	135585373
ChEBI ID	81816
Chemspider ID	11677300
Spectral data for Tepraloxydim standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)