Derivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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4-Methylcatechol 2-glucuronide,1TMS,isomer #1 | CC1=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 | 2503.0 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,1TMS,isomer #2 | CC1=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 | 2448.1 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,1TMS,isomer #3 | CC1=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 | 2441.0 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,1TMS,isomer #4 | CC1=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 | 2453.5 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,1TMS,isomer #5 | CC1=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 | 2461.3 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TMS,isomer #1 | CC1=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 | 2472.5 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TMS,isomer #10 | CC1=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 | 2461.3 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TMS,isomer #2 | CC1=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 | 2476.4 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TMS,isomer #3 | CC1=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 | 2487.9 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TMS,isomer #4 | CC1=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 | 2489.2 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TMS,isomer #5 | CC1=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 | 2442.7 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TMS,isomer #6 | CC1=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 | 2448.3 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TMS,isomer #7 | CC1=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 | 2442.7 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TMS,isomer #8 | CC1=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 | 2454.3 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TMS,isomer #9 | CC1=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 | 2461.9 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TMS,isomer #1 | CC1=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 | 2474.1 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TMS,isomer #10 | CC1=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 | 2474.4 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TMS,isomer #2 | CC1=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 | 2482.8 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TMS,isomer #3 | CC1=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 | 2475.7 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TMS,isomer #4 | CC1=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 | 2482.7 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TMS,isomer #5 | CC1=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 | 2497.5 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TMS,isomer #6 | CC1=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 | 2486.9 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TMS,isomer #7 | CC1=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 | 2469.4 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TMS,isomer #8 | CC1=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 | 2484.3 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TMS,isomer #9 | CC1=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 | 2460.6 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,4TMS,isomer #1 | CC1=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 | 2531.5 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,4TMS,isomer #2 | CC1=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 | 2552.9 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,4TMS,isomer #3 | CC1=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 | 2529.3 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,4TMS,isomer #4 | CC1=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 | 2524.7 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,4TMS,isomer #5 | CC1=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 | 2542.3 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,5TMS,isomer #1 | CC1=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 | 2589.8 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,1TBDMS,isomer #1 | CC1=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 | 2782.8 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,1TBDMS,isomer #2 | CC1=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 | 2724.3 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,1TBDMS,isomer #3 | CC1=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 | 2714.8 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,1TBDMS,isomer #4 | CC1=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 | 2735.9 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,1TBDMS,isomer #5 | CC1=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 | 2749.6 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TBDMS,isomer #1 | CC1=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 | 2991.7 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TBDMS,isomer #10 | CC1=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 | 2966.8 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TBDMS,isomer #2 | CC1=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 | 3003.0 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TBDMS,isomer #3 | CC1=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 | 3018.1 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TBDMS,isomer #4 | CC1=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 | 3018.1 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TBDMS,isomer #5 | CC1=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 | 2979.9 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TBDMS,isomer #6 | CC1=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 | 2975.5 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TBDMS,isomer #7 | CC1=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 | 2988.5 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TBDMS,isomer #8 | CC1=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 | 2954.5 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,2TBDMS,isomer #9 | CC1=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 | 2972.4 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TBDMS,isomer #1 | CC1=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 | 3230.9 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TBDMS,isomer #10 | CC1=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 | 3158.0 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TBDMS,isomer #2 | CC1=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 | 3231.2 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TBDMS,isomer #3 | CC1=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 | 3236.3 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TBDMS,isomer #4 | CC1=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 | 3200.4 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TBDMS,isomer #5 | CC1=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 | 3229.4 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TBDMS,isomer #6 | CC1=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 | 3213.9 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TBDMS,isomer #7 | CC1=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 | 3175.3 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TBDMS,isomer #8 | CC1=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 | 3208.6 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,3TBDMS,isomer #9 | CC1=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 | 3179.6 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,4TBDMS,isomer #1 | CC1=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[Si](C)(C)C(C)(C)C)[C@H]2O)=C1 | 3405.8 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,4TBDMS,isomer #2 | CC1=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[Si](C)(C)C(C)(C)C)=C1 | 3441.3 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,4TBDMS,isomer #3 | CC1=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[Si](C)(C)C(C)(C)C)=C1 | 3409.3 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,4TBDMS,isomer #4 | CC1=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[Si](C)(C)C(C)(C)C)=C1 | 3399.6 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,4TBDMS,isomer #5 | CC1=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[Si](C)(C)C(C)(C)C)=C1 | 3396.5 | Semi standard non polar | 33892256 |
4-Methylcatechol 2-glucuronide,5TBDMS,isomer #1 | CC1=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[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C1 | 3625.7 | Semi standard non polar | 33892256 |