RefMet Compound Details

RefMet IDRM0159155
MW structure35257 (View MW Metabolite Database details)
RefMet nameSolanidine
Systematic namesolanid-5-en-3beta-ol
SMILESC[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]34C)O)N2C1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass397.334464 (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
FormulaC27H43NOView other entries in RefMet with this formula
InChIInChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,
29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
InChIKeyJVKYZPBMZPJNAJ-OQFNDJACSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSterols
Sub ClassSolanidines and alkaloid derivatives
Pubchem CID65727
ChEBI ID28374
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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