RefMet Compound Details

RefMet IDRM0136748
MW structure49990 (View MW Metabolite Database details)
RefMet nameCostunolide
Systematic name(3aS,6E,10E,11aR)-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one
SMILESC/C/1=CCC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass232.146330 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC15H20O2View other entries in RefMet with this formula
InChIInChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1
InChIKeyHRYLQFBHBWLLLL-AHNJNIBGSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassC15 isoprenoids
Pubchem CID5281437
ChEBI ID3900
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo