RefMet Compound Details

RefMet IDRM0118463
MW structure48104 (View MW Metabolite Database details)
RefMet namegamma-Cadinene
Systematic name(1S,4aR,8aR)-7-methyl-4-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESCC(C)[C@@H]1CCC(=C)[C@@H]2CCC(=C[C@@H]12)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass204.187800 (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
FormulaC15H24View other entries in RefMet with this formula
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m0/s1
InChIKeyWRHGORWNJGOVQY-KKUMJFAQSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassC15 isoprenoids
Pubchem CID6432404
ChEBI ID63205
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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