RefMet Compound Details

RefMet IDRM0009832
MW structure34956 (View MW Metabolite Database details)
RefMet nameStigmasta-7,22E,25-trien-3beta-ol
Systematic namestigmasta-7,22E,25-trien-3beta-ol
SMILESCC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O)C(=C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionST 29:3;O View other entries in RefMet with this sum composition
Exact mass410.354865 (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
FormulaC29H46OView other entries in RefMet with this formula
InChIInChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,20-23,25-27
,30H,2,7,10,12-18H2,1,3-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKeyIMWBKGMKWXIXEQ-FXIAWGAOSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSterols
Sub ClassStigmasterols
Pubchem CID5283656
ChEBI ID166818
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo