RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0118174
RefMet name	Cycloxydim
Systematic name	2-[1-(ethoxyamino)butylidene]-5-tetrahydrothiopyran-3-yl-cyclohexane-1,3-dione
Synonyms	PubChem Synonyms
Exact mass	325.171166 (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	C17H27NO3S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	67994 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,18H,3-11H2,1-2H3/b17-14-
InChIKey	HAHCNFVGRVWFIP-VKAVYKQESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCC/C(=C/1\C(=O)CC(CC1=O)C1CCCSC1)/NOCC 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 Cycloxydim 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 Cycloxydim
External Links
Pubchem CID	135438605
ChEBI ID	4033
KEGG ID	C10913
EPA CompTox	DTXCID50817347
Spectral data for Cycloxydim standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)