Derivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Dihydrocaffeic acid 3-O-glucuronide,1TMS,isomer #1 | C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(CCC(=O)O)=CC=C2O)O[C@H](C(=O)O)[C@H]1O | 2995.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,1TMS,isomer #2 | C[Si](C)(C)O[C@H]1[C@H](OC2=CC(CCC(=O)O)=CC=C2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O | 3002.3 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,1TMS,isomer #3 | C[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O | 3007.8 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,1TMS,isomer #4 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=C1 | 2966.9 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,1TMS,isomer #5 | C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O)[C@H]1O | 3003.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,1TMS,isomer #6 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O | 2997.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #1 | C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@@H]1O[Si](C)(C)C | 2981.1 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #10 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=C1 | 2955.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #11 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O | 2963.4 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #12 | C[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O | 2987.3 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #13 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)=C1 | 2919.1 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #14 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1 | 2917.8 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #15 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C | 2973.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #2 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1 | 2918.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #3 | C[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O | 2973.3 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O | 2959.3 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #5 | C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O)[C@H]1O[Si](C)(C)C | 2988.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #6 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1 | 2925.9 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #7 | C[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C | 2976.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #8 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O | 2956.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TMS,isomer #9 | C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@H]1O | 2991.1 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #1 | C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(CCC(=O)O)=CC=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C | 2975.4 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #10 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 2967.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #11 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1 | 2913.4 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #12 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1 | 2899.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #13 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1 | 2926.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #14 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O | 2947.9 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #15 | C[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C | 2986.8 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #16 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C | 2985.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #17 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)=C1 | 2897.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #18 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1 | 2911.1 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #19 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C | 2953.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O | 2959.8 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #20 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1 | 2898.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #3 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1 | 2910.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #4 | C[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 2972.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #5 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1 | 2936.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #6 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1 | 2909.8 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #7 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1 | 2910.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #8 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O | 2958.4 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TMS,isomer #9 | C[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O | 2984.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #1 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1 | 2935.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #10 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 2998.8 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #11 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1 | 2947.1 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #12 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1 | 2961.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #13 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1 | 2979.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #14 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C | 3011.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #15 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1 | 2947.9 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #2 | C[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 3010.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 2992.9 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #4 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1 | 2941.1 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #5 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O | 2987.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #6 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1 | 2941.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #7 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1 | 2951.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #8 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1 | 2951.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TMS,isomer #9 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1 | 2948.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,5TMS,isomer #1 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1 | 2970.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,5TMS,isomer #2 | C[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1 | 3002.3 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,5TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 3025.3 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,5TMS,isomer #4 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1 | 2977.8 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,5TMS,isomer #5 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1 | 2985.1 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,5TMS,isomer #6 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1 | 3013.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,6TMS,isomer #1 | C[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1 | 3027.3 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(CCC(=O)O)=CC=C2O)O[C@H](C(=O)O)[C@H]1O | 3253.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(CCC(=O)O)=CC=C2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O | 3264.3 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O | 3289.1 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=C1 | 3263.2 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O)[C@H]1O | 3252.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,1TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O | 3275.9 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@@H]1O[Si](C)(C)C(C)(C)C | 3434.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=C1 | 3494.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O | 3493.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #12 | CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O | 3470.8 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)=C1 | 3464.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #14 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C1 | 3451.1 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 3479.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1 | 3454.3 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3459.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 3461.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3431.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1 | 3467.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3469.9 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | 3482.1 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3440.8 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(CCC(=O)O)=CC=C2O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C(C)(C)C | 3612.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 3631.9 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1 | 3677.8 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #12 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1 | 3663.2 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1 | 3633.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #14 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | 3684.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3657.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #16 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 3668.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #17 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)=C1 | 3672.9 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #18 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C1 | 3663.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #19 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 3680.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 3631.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #20 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C1 | 3652.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C1 | 3622.4 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 3648.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1 | 3670.8 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1 | 3643.2 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1 | 3618.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 3677.0 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3641.9 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C1 | 3783.2 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 3830.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1 | 3850.2 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #12 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1 | 3824.3 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C1 | 3833.1 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #14 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 3867.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C1 | 3838.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC=C(CCC(=O)O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 3827.4 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 3835.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C1 | 3794.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(CCC(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 3833.5 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C1 | 3811.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1 | 3834.7 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1 | 3810.6 | Semi standard non polar | 33892256 |
Dihydrocaffeic acid 3-O-glucuronide,4TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=C(O)C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C1 | 3792.3 | Semi standard non polar | 33892256 |