RefMet Compound Details

MW structure78588 (View MW Metabolite Database details)
RefMet nameVanilloloside
Systematic nameVanillyl alcohol 4-O-beta-D-glucopyranoside
SMILESCOc1cc(CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Exact mass316.115820 (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
FormulaC14H20O8View other entries in RefMet with this formula
InChIInChI=1S/C14H20O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-4,10-19H,5-6H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKeySIMPNXWTAVEOTO-RKQHYHRCSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassCarbohydrates
Main ClassGlycosyl compounds
Sub ClassGlycosyl compounds
Pubchem CID44577222
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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