RefMet Compound Details

RefMet IDRM0034093
MW structure49906 (View MW Metabolite Database details)
RefMet namePalatinose
Systematic name6-O-alpha-D-Glucopyranosyl-D-fructofuranose
SMILESC([C@@H]1[C@H]([C@@H]([C@H]([C@@H](OC[C@@H]2[C@H]([C@@H](C(CO)(O)O2)O)O)O1)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass342.116215 (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
FormulaC12H22O11View other entries in RefMet with this formula
InChIInChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,
12?/m1/s1
InChIKeyPVXPPJIGRGXGCY-TZLCEDOOSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassDisaccharides
Sub ClassDisaccharides
Pubchem CID439559
ChEBI ID18394
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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