Derivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,1TMS,isomer #1 | C[Si](C)(C)OC1C(O)C(O)C(C(=O)O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C1O | 3544.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,1TMS,isomer #2 | C[Si](C)(C)OC1C(O)C(O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C1O | 3549.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,1TMS,isomer #3 | C[Si](C)(C)OC1C(O)C(O)C(O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C1C(=O)O | 3522.0 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,1TMS,isomer #4 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O)C(O)C(O)C1C(=O)O | 3530.9 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,1TMS,isomer #5 | C[Si](C)(C)OC1C(O)C(O)C(O)C(C(=O)O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3520.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,1TMS,isomer #6 | C[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3489.2 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #1 | C[Si](C)(C)OC1C(O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C(O)C1O[Si](C)(C)C | 3494.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #10 | C[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C)C(C(=O)O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3467.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #11 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O)C(O)C(O[Si](C)(C)C)C1C(=O)O | 3470.6 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #12 | C[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O)C(O)C(O)C1O[Si](C)(C)C | 3430.6 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #13 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C)C(O)C(O)C(O)C1C(=O)O | 3475.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #14 | C[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C | 3444.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #15 | C[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(O[Si](C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3419.1 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #2 | C[Si](C)(C)OC1C(O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C(O[Si](C)(C)C)C1O | 3477.2 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #3 | C[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3432.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #4 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O[Si](C)(C)C)C(O)C(O)C1C(=O)O | 3478.6 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #5 | C[Si](C)(C)OC1C(O)C(O)C(C(=O)O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C1O[Si](C)(C)C | 3482.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #6 | C[Si](C)(C)OC1C(O)C(O[Si](C)(C)C)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C1O | 3476.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #7 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O)C(O[Si](C)(C)C)C(O)C1C(=O)O | 3486.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #8 | C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3454.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TMS,isomer #9 | C[Si](C)(C)OC1C(O)C(O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C1O[Si](C)(C)C | 3478.2 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #1 | C[Si](C)(C)OC1C(O)C(C(=O)O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3460.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #10 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C1C(=O)O | 3457.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #11 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C1C(=O)O | 3446.2 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #12 | C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3390.1 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #13 | C[Si](C)(C)OC1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C(=O)O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3436.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #14 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(=O)O | 3437.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #15 | C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C | 3398.9 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #16 | C[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3380.0 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #17 | C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3372.0 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #18 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C1C(=O)O | 3436.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #19 | C[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O[Si](C)(C)C)C(O)C(O)C(O)C1O[Si](C)(C)C | 3379.1 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #2 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C(=O)O | 3432.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #20 | C[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(O[Si](C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C | 3376.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #3 | C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3387.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #4 | C[Si](C)(C)OC1C(O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3448.2 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #5 | C[Si](C)(C)OC1C(O)C(O[Si](C)(C)C)C(C(=O)O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C1O[Si](C)(C)C | 3444.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #6 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C(=O)O | 3439.9 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #7 | C[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 3389.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #8 | C[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3372.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TMS,isomer #9 | C[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C | 3378.1 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #1 | C[Si](C)(C)OC1C(O[Si](C)(C)C)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3423.9 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #10 | C[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C | 3348.6 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #11 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(=O)O | 3405.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #12 | C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C | 3366.9 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #13 | C[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3337.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #14 | C[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3343.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #15 | C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C | 3344.1 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #2 | C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3341.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #3 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C(=O)O | 3419.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #4 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(=O)O | 3401.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #5 | C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C | 3360.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #6 | C[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3340.1 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #7 | C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3345.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #8 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C(=O)O | 3410.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TMS,isomer #9 | C[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 3360.1 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,5TMS,isomer #1 | C[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(=O)O | 3409.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,5TMS,isomer #2 | C[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3308.1 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,5TMS,isomer #3 | C[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C | 3335.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,5TMS,isomer #4 | C[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3335.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,5TMS,isomer #5 | C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C | 3353.6 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,5TMS,isomer #6 | C[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3342.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,6TMS,isomer #1 | C[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3333.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(C(=O)O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C1O | 3826.6 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C1O | 3833.6 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C1C(=O)O | 3793.1 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O)C(O)C(O)C1C(=O)O | 3794.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O)C(C(=O)O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3799.6 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,1TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3771.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1C(O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C | 3965.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3930.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1C(=O)O | 3922.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #12 | CC(C)(C)[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 3897.0 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C1C(=O)O | 3937.1 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #14 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C(C)(C)C | 3903.6 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3892.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1C(O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O | 3961.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3912.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1C(=O)O | 3940.9 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(C(=O)O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C1O[Si](C)(C)C(C)(C)C | 3941.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1C(O)C(O[Si](C)(C)C(C)(C)C)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C1O | 3961.2 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1C(=O)O | 3955.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 3937.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C1O[Si](C)(C)C(C)(C)C | 3935.0 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1C(O)C(C(=O)O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 4120.0 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1C(=O)O | 4080.9 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1C(=O)O | 4104.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #12 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 4088.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OC1C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 4114.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #14 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C(=O)O | 4076.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C(C)(C)C | 4087.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #16 | CC(C)(C)[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 4055.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #17 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 4048.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #18 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1C(=O)O | 4076.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #19 | CC(C)(C)[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 4043.6 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1C(=O)O | 4101.0 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #20 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C(C)(C)C | 4053.0 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 4079.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1C(O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 4114.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1C(O)C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C1O[Si](C)(C)C(C)(C)C | 4119.4 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1C(=O)O | 4098.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 4092.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 4050.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C(C)(C)C | 4064.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1C(O[Si](C)(C)C(C)(C)C)C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 4257.1 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C(C)(C)C | 4224.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C(=O)O | 4277.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #12 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C(C)(C)C | 4264.9 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O[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 | 4230.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #14 | CC(C)(C)[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 4225.9 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C(C)(C)C | 4226.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[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)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 4212.9 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[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)C(O)C1C(=O)O | 4268.3 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O)C(O[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)C1C(=O)O | 4265.6 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O[Si](C)(C)C(C)(C)C | 4256.7 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O)C(O)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 | 4227.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1=CC(CC2CCC(=O)O2)=CC=C1O | 4234.8 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC=C(CC2CCC(=O)O2)C=C1OC1C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1C(=O)O | 4276.5 | Semi standard non polar | 33892256 |
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,4TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC(=O)C1C(OC2=CC(CC3CCC(=O)O3)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 4264.6 | Semi standard non polar | 33892256 |