Derivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Epicatechin 3-sulfate,1TMS,isomer #1 | C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OS(=O)(=O)O)[C@@H](C1=CC=C(O)C(O)=C1)O2 | 3348.3 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,1TMS,isomer #2 | C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C1 | 3369.0 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,1TMS,isomer #3 | C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OS(=O)(=O)O)=CC=C1O | 3336.8 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,1TMS,isomer #4 | C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OS(=O)(=O)O)C=C1O | 3357.0 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,1TMS,isomer #5 | C[Si](C)(C)OS(=O)(=O)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1 | 3478.9 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1 | 3231.6 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TMS,isomer #10 | C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OS(=O)(=O)O[Si](C)(C)C)C=C1O | 3355.1 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TMS,isomer #2 | C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OS(=O)(=O)O)C=C1O | 3263.2 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TMS,isomer #3 | C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OS(=O)(=O)O)=CC=C1O | 3247.9 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TMS,isomer #4 | C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OS(=O)(=O)O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2 | 3363.2 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TMS,isomer #5 | C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1 | 3241.1 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TMS,isomer #6 | C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1 | 3227.6 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TMS,isomer #7 | C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C1 | 3356.1 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TMS,isomer #8 | C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OS(=O)(=O)O)C=C1O[Si](C)(C)C | 3268.6 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TMS,isomer #9 | C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OS(=O)(=O)O[Si](C)(C)C)=CC=C1O | 3344.9 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1 | 3208.6 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TMS,isomer #10 | C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OS(=O)(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C | 3263.3 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TMS,isomer #2 | C[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1 | 3200.5 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TMS,isomer #3 | C[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1 | 3205.6 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TMS,isomer #4 | C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OS(=O)(=O)O)C=C1O[Si](C)(C)C | 3179.9 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TMS,isomer #5 | C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OS(=O)(=O)O[Si](C)(C)C)C=C1O | 3216.6 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TMS,isomer #6 | C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OS(=O)(=O)O[Si](C)(C)C)=CC=C1O | 3214.5 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TMS,isomer #7 | C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1 | 3175.0 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TMS,isomer #8 | C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1 | 3210.7 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TMS,isomer #9 | C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1 | 3207.8 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,4TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1 | 3212.7 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,4TMS,isomer #2 | C[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1 | 3246.6 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,4TMS,isomer #3 | C[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O[Si](C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1 | 3243.9 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,4TMS,isomer #4 | C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OS(=O)(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C | 3203.4 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,4TMS,isomer #5 | C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1 | 3217.3 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,5TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1 | 3259.8 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,5TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1 | 3653.5 | Standard non polar | 33892256 |
Epicatechin 3-sulfate,5TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O[Si](C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1 | 3743.3 | Standard polar | 33892256 |
Epicatechin 3-sulfate,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OS(=O)(=O)O)[C@@H](C1=CC=C(O)C(O)=C1)O2 | 3671.3 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C1 | 3667.8 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OS(=O)(=O)O)=CC=C1O | 3685.0 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OS(=O)(=O)O)C=C1O | 3705.5 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1 | 3745.8 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 3748.9 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C=C1O | 3854.7 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OS(=O)(=O)O)C=C1O | 3788.8 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OS(=O)(=O)O)=CC=C1O | 3769.5 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2 | 3835.5 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1 | 3797.7 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1 | 3775.8 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C1 | 3834.1 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OS(=O)(=O)O)C=C1O[Si](C)(C)C(C)(C)C | 3794.2 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OS(=O)(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O | 3839.5 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 4002.3 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C | 3964.8 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 3980.7 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 3921.1 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OS(=O)(=O)O)C=C1O[Si](C)(C)C(C)(C)C | 3925.2 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C=C1O | 3958.3 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OS(=O)(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O | 3938.0 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1 | 3942.2 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1 | 3979.8 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1 | 3958.0 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 4171.6 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 4180.9 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 4163.4 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C | 4121.6 | Semi standard non polar | 33892256 |
Epicatechin 3-sulfate,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1 | 4140.7 | Semi standard non polar | 33892256 |