RefMet Compound Details

RefMet IDRM0135315
MW structure28077 (View MW Metabolite Database details)
RefMet name8-Epiiridodial glucoside
Systematic name(2S,3R,4S,5S,6R)-2-[[(1S,4aS,7R,7aR)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC[C@@H]1CC[C@@H]2C(=CO[C@H]([C@H]12)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass330.167855 (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
FormulaC16H26O7View other entries in RefMet with this formula
InChIInChI=1S/C16H26O7/c1-7-3-4-9-8(2)6-21-15(11(7)9)23-16-14(20)13(19)12(18)10(5-17)22-16/h6-7,9-20H,3-5H2,1-2H3/t7-,9-,10-,11-,12-,13
+,14-,15+,16+/m1/s1
InChIKeyUKWQRDBDDIGHEQ-XLOWEYQUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassC10 isoprenoids
Pubchem CID443337
ChEBI ID2318
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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