RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200685
RefMet name	Curdione
Systematic name	(6Z)-6,10-dimethyl-3-(propan-2-yl)cyclodec-6-ene-1,4-dione
Synonyms	PubChem Synonyms
Exact mass	236.17763 (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	C15H24O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	46655 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	KDPFMRXIVDLQKX-WDZFZDKYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(C)C1CC(=O)C(C)CC/C=C(/C)CC1=O 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 Curdione 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 Curdione
External Links
Pubchem CID	5362828
ChEBI ID	81131
KEGG ID	C17493
HMDB ID	HMDB0034714
Chemspider ID	4515293
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)