Derivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Isovanillic acid glucuronide,1TMS,isomer #1 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C | 2827.3 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,1TMS,isomer #2 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O | 2818.9 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,1TMS,isomer #3 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O | 2807.8 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,1TMS,isomer #4 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O | 2826.5 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,1TMS,isomer #5 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O | 2843.1 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TMS,isomer #1 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C | 2778.0 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TMS,isomer #10 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O | 2805.0 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TMS,isomer #2 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C | 2787.1 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TMS,isomer #3 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C | 2804.4 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TMS,isomer #4 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C | 2826.0 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TMS,isomer #5 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O | 2776.7 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TMS,isomer #6 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O | 2782.9 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TMS,isomer #7 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O | 2783.2 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TMS,isomer #8 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O | 2783.6 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TMS,isomer #9 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O | 2808.8 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TMS,isomer #1 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C | 2787.7 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TMS,isomer #10 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 2793.6 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TMS,isomer #2 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C | 2796.9 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TMS,isomer #3 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C | 2804.4 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TMS,isomer #4 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C | 2789.4 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TMS,isomer #5 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C | 2822.8 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TMS,isomer #6 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C | 2816.0 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TMS,isomer #7 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 2779.8 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TMS,isomer #8 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 2821.4 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TMS,isomer #9 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 2795.5 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,4TMS,isomer #1 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C | 2840.5 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,4TMS,isomer #2 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C | 2874.3 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,4TMS,isomer #3 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C | 2848.6 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,4TMS,isomer #4 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C | 2833.3 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,4TMS,isomer #5 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 2860.6 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,5TMS,isomer #1 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C | 2915.1 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,1TBDMS,isomer #1 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C | 3114.8 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,1TBDMS,isomer #2 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O | 3105.6 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,1TBDMS,isomer #3 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O | 3073.8 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,1TBDMS,isomer #4 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O | 3111.6 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,1TBDMS,isomer #5 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O | 3118.9 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TBDMS,isomer #1 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C | 3288.2 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TBDMS,isomer #10 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 3295.9 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TBDMS,isomer #2 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C | 3283.1 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TBDMS,isomer #3 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C | 3306.3 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TBDMS,isomer #4 | COC1=CC=C(C(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C | 3316.3 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TBDMS,isomer #5 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 3300.2 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TBDMS,isomer #6 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 3310.2 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TBDMS,isomer #7 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 3310.6 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TBDMS,isomer #8 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 3272.7 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,2TBDMS,isomer #9 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 3302.7 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TBDMS,isomer #1 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C(C)(C)C | 3490.0 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TBDMS,isomer #10 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 3477.2 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TBDMS,isomer #2 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C(C)(C)C | 3506.2 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TBDMS,isomer #3 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C(C)(C)C | 3509.2 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TBDMS,isomer #4 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C(C)(C)C | 3472.2 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TBDMS,isomer #5 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C(C)(C)C | 3501.8 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TBDMS,isomer #6 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C(C)(C)C | 3489.0 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TBDMS,isomer #7 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 3500.6 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TBDMS,isomer #8 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 3550.1 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,3TBDMS,isomer #9 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 3501.6 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,4TBDMS,isomer #1 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C(C)(C)C | 3654.6 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,4TBDMS,isomer #2 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C(C)(C)C | 3704.7 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,4TBDMS,isomer #3 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C(C)(C)C | 3668.8 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,4TBDMS,isomer #4 | COC1=CC=C(C(=O)OC2O[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)C=C1O[Si](C)(C)C(C)(C)C | 3646.6 | Semi standard non polar | 33892256 |
Isovanillic acid glucuronide,4TBDMS,isomer #5 | COC1=CC=C(C(=O)OC2O[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)C=C1O | 3700.5 | Semi standard non polar | 33892256 |