RefMet Compound Details

RefMet IDRM0034162
MW structure49891 (View MW Metabolite Database details)
RefMet nameLeucrose
Systematic name5-O-alpha-D-glucopyranosyl-D-fructose
SMILESC(C(=O)[C@H]([C@@H]([C@@H](CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)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(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h5-15,17-21H,1-3H2/t5-,6-,7-,8-,9-,10+,11-,12+/
m1/s1
InChIKeyDXALOGXSFLZLLN-WTZPKTTFSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassSugar alcohols
Pubchem CID165577
ChEBI ID79285
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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