Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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(1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside | CC1(CO)C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C2)C1=O | 2977.2 | Standard polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside | CC1(CO)C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C2)C1=O | 2772.4 | Standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside | CC1(CO)C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C2)C1=O | 2833.8 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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(1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,1TMS,isomer #1 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O)C1O | 2833.0 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,1TMS,isomer #2 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O | 2866.4 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,1TMS,isomer #3 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O | 2847.4 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,1TMS,isomer #4 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O | 2833.1 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,1TMS,isomer #5 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C | 2820.5 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TMS,isomer #1 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O | 2792.3 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TMS,isomer #10 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2781.4 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TMS,isomer #2 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O | 2792.9 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TMS,isomer #3 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O | 2772.6 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TMS,isomer #4 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C | 2760.8 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TMS,isomer #5 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O | 2805.6 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TMS,isomer #6 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O | 2794.3 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TMS,isomer #7 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C | 2783.3 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TMS,isomer #8 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 2773.6 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TMS,isomer #9 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 2760.9 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TMS,isomer #1 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O | 2711.1 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TMS,isomer #10 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2712.3 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TMS,isomer #2 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O | 2676.8 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TMS,isomer #3 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C | 2672.0 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TMS,isomer #4 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 2684.5 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TMS,isomer #5 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 2677.9 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TMS,isomer #6 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2673.7 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TMS,isomer #7 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 2702.2 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TMS,isomer #8 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 2695.3 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TMS,isomer #9 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2693.3 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,4TMS,isomer #1 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 2601.8 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,4TMS,isomer #2 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 2604.7 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,4TMS,isomer #3 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2596.4 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,4TMS,isomer #4 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2588.6 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,4TMS,isomer #5 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2646.6 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,5TMS,isomer #1 | CC1(CO[Si](C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2539.7 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,1TBDMS,isomer #1 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O)C1O | 3058.9 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,1TBDMS,isomer #2 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O | 3073.2 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,1TBDMS,isomer #3 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 3082.3 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,1TBDMS,isomer #4 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 3070.8 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,1TBDMS,isomer #5 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 3058.2 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TBDMS,isomer #1 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O | 3215.3 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TBDMS,isomer #10 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3253.1 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TBDMS,isomer #2 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 3238.4 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TBDMS,isomer #3 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 3226.1 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TBDMS,isomer #4 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 3204.0 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TBDMS,isomer #5 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 3244.8 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TBDMS,isomer #6 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 3237.0 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TBDMS,isomer #7 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 3214.9 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TBDMS,isomer #8 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O | 3249.8 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,2TBDMS,isomer #9 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 3241.1 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TBDMS,isomer #1 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 3389.7 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TBDMS,isomer #10 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3421.7 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TBDMS,isomer #2 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 3389.5 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TBDMS,isomer #3 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 3365.2 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TBDMS,isomer #4 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O | 3387.7 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TBDMS,isomer #5 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 3381.6 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TBDMS,isomer #6 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3388.8 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TBDMS,isomer #7 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O | 3421.7 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TBDMS,isomer #8 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 3404.9 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,3TBDMS,isomer #9 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3414.6 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,4TBDMS,isomer #1 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O | 3579.5 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,4TBDMS,isomer #2 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 3572.2 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,4TBDMS,isomer #3 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3572.0 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,4TBDMS,isomer #4 | CC1(CO[Si](C)(C)C(C)(C)C)C(=O)C2(C)CC1CC2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3565.6 | Semi standard non polar | 33892256 | (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside,4TBDMS,isomer #5 | CC1(CO)C(=O)C2(C)CC1CC2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3606.2 | Semi standard non polar | 33892256 |
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