RefMet Compound Details

RefMet IDRM0034398
MW structure71584 (View MW Metabolite Database details)
RefMet nameSophorose
Systematic name2-O-beta-D-Glucopyranosyl-alpha-D-glucopyranose
SMILESC([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O)O1)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/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12
+/m1/s1
InChIKeyHIWPGCMGAMJNRG-NCFXGAEVSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassDisaccharides
Sub ClassDisaccharides
Pubchem CID88719
ChEBI ID1230
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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