RI01713726 | NMNH,3TMS,isomer#3 | JsmolC[Si](C)(C)OC1C(O)C(COP(=O)([O-])[O-])OC1N1C=CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1 | TMS | 550.1763 | Semi standard non polar | 3020.7727 |
RI01713725 | NMNH,3TMS,isomer#2 | JsmolC[Si](C)(C)OC1C(COP(=O)([O-])[O-])OC(N2C=CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)C1O | TMS | 550.1763 | Semi standard non polar | 3011.0095 |
RI01713724 | NMNH,3TMS,isomer#1 | JsmolC[Si](C)(C)NC(=O)C1=CN(C2OC(COP(=O)([O-])[O-])C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=CC1 | TMS | 550.1763 | Semi standard non polar | 2902.2104 |
RI01713723 | NMNH,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1C(COP(=O)([O-])[O-])OC(N2C=CCC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)C1O[Si](C)(C)C(C)(C)C | TBDMS | 790.4036 | Standard non polar | 3797.209 |
RI01713722 | NMNH,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)([O-])[O-])OC1N1C=CCC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1 | TBDMS | 676.3171 | Standard non polar | 3651.4966 |
RI01713721 | NMNH,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC1C(COP(=O)([O-])[O-])OC(N2C=CCC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)C1O | TBDMS | 676.3171 | Standard non polar | 3636.0625 |
RI01713720 | NMNH,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)NC(=O)C1=CN(C2OC(COP(=O)([O-])[O-])C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=CC1 | TBDMS | 676.3171 | Standard non polar | 3573.3823 |
RI01713719 | NMNH,4TMS,isomer#1 | JsmolC[Si](C)(C)OC1C(COP(=O)([O-])[O-])OC(N2C=CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)C1O[Si](C)(C)C | TMS | 622.2158 | Standard non polar | 3016.8562 |
RI01713718 | NMNH,3TMS,isomer#3 | JsmolC[Si](C)(C)OC1C(O)C(COP(=O)([O-])[O-])OC1N1C=CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1 | TMS | 550.1763 | Standard non polar | 3019.4465 |
RI01713717 | NMNH,3TMS,isomer#2 | JsmolC[Si](C)(C)OC1C(COP(=O)([O-])[O-])OC(N2C=CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2)C1O | TMS | 550.1763 | Standard non polar | 3004.751 |
RI01713716 | NMNH,3TMS,isomer#1 | JsmolC[Si](C)(C)NC(=O)C1=CN(C2OC(COP(=O)([O-])[O-])C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=CC1 | TMS | 550.1763 | Standard non polar | 2890.268 |
RI01713715 | neopinone,1TBDMS,isomer#2 | JsmolCOC1=CC=C2CC3C4=CC=C(O[Si](C)(C)C(C)(C)C)C5OC1=C2C45CCN3C | TBDMS | 411.223 | Standard polar | 3329.1262 |
RI01713714 | neopinone,1TBDMS,isomer#1 | JsmolCOC1=CC=C2CC3C4=CCC(O[Si](C)(C)C(C)(C)C)=C5OC1=C2C45CCN3C | TBDMS | 411.223 | Standard polar | 3309.5986 |
RI01713713 | neopinone,1TMS,isomer#2 | JsmolCOC1=CC=C2CC3C4=CC=C(O[Si](C)(C)C)C5OC1=C2C45CCN3C | TMS | 369.176 | Standard polar | 3173.659 |
RI01713712 | neopinone,1TMS,isomer#1 | JsmolCOC1=CC=C2CC3C4=CCC(O[Si](C)(C)C)=C5OC1=C2C45CCN3C | TMS | 369.176 | Standard polar | 3161.7544 |
RI01713711 | neopinone,1TBDMS,isomer#2 | JsmolCOC1=CC=C2CC3C4=CC=C(O[Si](C)(C)C(C)(C)C)C5OC1=C2C45CCN3C | TBDMS | 411.223 | Semi standard non polar | 2820.364 |
RI01713710 | neopinone,1TBDMS,isomer#1 | JsmolCOC1=CC=C2CC3C4=CCC(O[Si](C)(C)C(C)(C)C)=C5OC1=C2C45CCN3C | TBDMS | 411.223 | Semi standard non polar | 2824.2424 |
RI01713709 | neopinone,1TMS,isomer#2 | JsmolCOC1=CC=C2CC3C4=CC=C(O[Si](C)(C)C)C5OC1=C2C45CCN3C | TMS | 369.176 | Semi standard non polar | 2571.8867 |
RI01713708 | neopinone,1TMS,isomer#1 | JsmolCOC1=CC=C2CC3C4=CCC(O[Si](C)(C)C)=C5OC1=C2C45CCN3C | TMS | 369.176 | Semi standard non polar | 2565.1475 |
RI01713707 | neopinone,1TBDMS,isomer#2 | JsmolCOC1=CC=C2CC3C4=CC=C(O[Si](C)(C)C(C)(C)C)C5OC1=C2C45CCN3C | TBDMS | 411.223 | Standard non polar | 2626.6414 |
RI01713706 | neopinone,1TBDMS,isomer#1 | JsmolCOC1=CC=C2CC3C4=CCC(O[Si](C)(C)C(C)(C)C)=C5OC1=C2C45CCN3C | TBDMS | 411.223 | Standard non polar | 2688.807 |
RI01713705 | neopinone,1TMS,isomer#2 | JsmolCOC1=CC=C2CC3C4=CC=C(O[Si](C)(C)C)C5OC1=C2C45CCN3C | TMS | 369.176 | Standard non polar | 2437.844 |
RI01713704 | neopinone,1TMS,isomer#1 | JsmolCOC1=CC=C2CC3C4=CCC(O[Si](C)(C)C)=C5OC1=C2C45CCN3C | TMS | 369.176 | Standard non polar | 2434.5083 |
RI01713703 | NADP+,1TBDMS,isomer#8 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H]([N+]3=CC=CC(C(N)=O)=C3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O | TBDMS | 858.1692 | Standard polar | 10755.313 |
RI01713702 | NADP+,1TBDMS,isomer#7 | JsmolCC(C)(C)[Si](C)(C)NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1 | TBDMS | 858.1692 | Standard polar | 10716.557 |