RefMet Compound Details

RefMet IDRM0188130
MW structure51721 (View MW Metabolite Database details)
RefMet name3R,4S,5R-Trihydroxycyclohexane-1,2-dione
Systematic name(3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione
SMILESC1[C@H]([C@@H]([C@H](C(=O)C1=O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass160.037173 (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
FormulaC6H8O5View other entries in RefMet with this formula
InChI
InChIKeySHFQRUVRUBHHRE-CJPQEGFPSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic oxygen compounds
Main ClassAlcohols and polyols
Sub ClassCyclitols
Pubchem CID24771766
ChEBI ID28446
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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