RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0205084
RefMet name	Drospirenone
Synonyms	PubChem Synonyms
Exact mass	366.219495 (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	C24H30O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	43532 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	METQSPRSQINEEU-HXCATZOESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@@]12CCC(=O)C=C2[C@@H]2C[C@@H]2[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]2[C@@H]2C[C@@H]2[C@]21CCC(=O)O2 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C19 steroids
Distribution of Drospirenone 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 Drospirenone
External Links
Pubchem CID	68873
ChEBI ID	50838
HMDB ID	HMDB0015467
Chemspider ID	62105
EPA CompTox	DTXCID30208759
Spectral data for Drospirenone standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)