Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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{2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium | OCC1=CC2=C3C(O1)=CC(=O)C=C3OC(=C2O)C1=CC(O)=C(OS(O)(=O)=O)C(O)=C1 | 6886.1 | Standard polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium | OCC1=CC2=C3C(O1)=CC(=O)C=C3OC(=C2O)C1=CC(O)=C(OS(O)(=O)=O)C(O)=C1 | 3236.5 | Standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium | OCC1=CC2=C3C(O1)=CC(=O)C=C3OC(=C2O)C1=CC(O)=C(OS(O)(=O)=O)C(O)=C1 | 4083.3 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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{2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,1TMS,isomer #1 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O)C(O)=C3)=C2O)O1 | 4146.6 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,1TMS,isomer #2 | C[Si](C)(C)OC1=C(C2=CC(O)=C(OS(=O)(=O)O)C(O)=C2)OC2=CC(=O)C=C3OC(CO)=CC1=C32 | 4082.2 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,1TMS,isomer #3 | C[Si](C)(C)OC1=CC(C2=C(O)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O)=C1OS(=O)(=O)O | 4098.4 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,1TMS,isomer #4 | C[Si](C)(C)OS(=O)(=O)OC1=C(O)C=C(C2=C(O)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)C=C1O | 4143.1 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TMS,isomer #1 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O)C(O)=C3)=C2O[Si](C)(C)C)O1 | 3994.9 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TMS,isomer #2 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O)C(O[Si](C)(C)C)=C3)=C2O)O1 | 4006.0 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TMS,isomer #3 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O[Si](C)(C)C)C(O)=C3)=C2O)O1 | 4047.6 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TMS,isomer #4 | C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O)=C1OS(=O)(=O)O | 3995.4 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TMS,isomer #5 | C[Si](C)(C)OC1=C(C2=CC(O)=C(OS(=O)(=O)O[Si](C)(C)C)C(O)=C2)OC2=CC(=O)C=C3OC(CO)=CC1=C32 | 3994.1 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TMS,isomer #6 | C[Si](C)(C)OC1=CC(C2=C(O)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O[Si](C)(C)C)=C1OS(=O)(=O)O | 4014.3 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TMS,isomer #7 | C[Si](C)(C)OC1=CC(C2=C(O)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O)=C1OS(=O)(=O)O[Si](C)(C)C | 4016.2 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TMS,isomer #1 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)O1 | 3923.3 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TMS,isomer #2 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O[Si](C)(C)C)C(O)=C3)=C2O[Si](C)(C)C)O1 | 3931.1 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TMS,isomer #3 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(OS(=O)(=O)O)C(O[Si](C)(C)C)=C3)=C2O)O1 | 3934.1 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TMS,isomer #4 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)O1 | 3941.6 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TMS,isomer #5 | C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O[Si](C)(C)C)=C1OS(=O)(=O)O | 3941.6 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TMS,isomer #6 | C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O)=C1OS(=O)(=O)O[Si](C)(C)C | 3935.3 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TMS,isomer #7 | C[Si](C)(C)OC1=CC(C2=C(O)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O[Si](C)(C)C)=C1OS(=O)(=O)O[Si](C)(C)C | 3955.4 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,4TMS,isomer #1 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(OS(=O)(=O)O)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)O1 | 3906.8 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,4TMS,isomer #2 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)O1 | 3903.0 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,4TMS,isomer #3 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O)O1 | 3906.3 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,4TMS,isomer #4 | C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O[Si](C)(C)C)=C1OS(=O)(=O)O[Si](C)(C)C | 3922.4 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-λ⁶-sulfanylium,5TMS,isomer #1 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)O1 | 3916.4 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-λ⁶-sulfanylium,5TMS,isomer #1 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)O1 | 4211.5 | Standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-λ⁶-sulfanylium,5TMS,isomer #1 | C[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2O[Si](C)(C)C)O1 | 4387.8 | Standard polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O)C(O)=C3)=C2O)O1 | 4410.3 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=C(C2=CC(O)=C(OS(=O)(=O)O)C(O)=C2)OC2=CC(=O)C=C3OC(CO)=CC1=C32 | 4321.9 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O)=C1OS(=O)(=O)O | 4383.3 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=C(O)C=C(C2=C(O)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)C=C1O | 4417.3 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O)C(O)=C3)=C2O[Si](C)(C)C(C)(C)C)O1 | 4489.3 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O)O1 | 4498.7 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2O)O1 | 4536.0 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O)=C1OS(=O)(=O)O | 4493.1 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=C(C2=CC(O)=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(=O)C=C3OC(CO)=CC1=C32 | 4466.0 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O[Si](C)(C)C(C)(C)C)=C1OS(=O)(=O)O | 4510.7 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O)=C1OS(=O)(=O)O[Si](C)(C)C(C)(C)C | 4528.9 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O[Si](C)(C)C(C)(C)C)O1 | 4647.9 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2O[Si](C)(C)C(C)(C)C)O1 | 4636.1 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O[Si](C)(C)C(C)(C)C)=C(OS(=O)(=O)O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O)O1 | 4668.3 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O)O1 | 4650.9 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O[Si](C)(C)C(C)(C)C)=C1OS(=O)(=O)O | 4650.2 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O)=C1OS(=O)(=O)O[Si](C)(C)C(C)(C)C | 4618.3 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O[Si](C)(C)C(C)(C)C)=C1OS(=O)(=O)O[Si](C)(C)C(C)(C)C | 4673.4 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O[Si](C)(C)C(C)(C)C)=C(OS(=O)(=O)O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O[Si](C)(C)C(C)(C)C)O1 | 4763.4 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O)=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O[Si](C)(C)C(C)(C)C)O1 | 4756.9 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC1=CC2=C3C(=CC(=O)C=C3OC(C3=CC(O[Si](C)(C)C(C)(C)C)=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C2O)O1 | 4763.2 | Semi standard non polar | 33892256 | {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0???,????]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-?????-sulfanylium,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C3=C4C(=CC(=O)C=C4O2)OC(CO)=C3)=CC(O[Si](C)(C)C(C)(C)C)=C1OS(=O)(=O)O[Si](C)(C)C(C)(C)C | 4726.3 | Semi standard non polar | 33892256 |
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