RI00001276 | Aldosterone,3TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C=O | TBDMS | 702.4531 | Standard polar | 4028.6235 |
RI00001277 | Aldosterone,3TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C=O | TBDMS | 702.4531 | Standard polar | 4059.837 |
RI00001278 | Aldosterone,3TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]2(C=O)C(=C(CO)O[Si](C)(C)C(C)(C)C)CC[C@@H]12 | TBDMS | 702.4531 | Standard polar | 4036.4585 |
RI00001279 | Aldosterone,3TBDMS,isomer#7 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]2(C=O)[C@@H](C(=CO)O[Si](C)(C)C(C)(C)C)CC[C@@H]12 | TBDMS | 702.4531 | Standard polar | 4060.2656 |
RI00001280 | Aldosterone,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C=O | TBDMS | 816.5396 | Standard polar | 3884.6243 |
RI00001281 | Aldosterone,4TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]12C=O | TBDMS | 816.5396 | Standard polar | 3924.411 |
RI00001282 | Dihydrobiopterin,1TMS,isomer#1 | JsmolC[C@H](O[Si](C)(C)C)[C@H](O)C1=NC2=C(NC1)[NH]C(N)=NC2=O | TMS | 311.1414 | Semi standard non polar | 2388.314 |
RI00001283 | Dihydrobiopterin,1TMS,isomer#2 | JsmolC[C@H](O)[C@H](O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N)=NC2=O | TMS | 311.1414 | Semi standard non polar | 2373.3103 |
RI00001284 | Dihydrobiopterin,1TMS,isomer#3 | JsmolC[C@H](O)[C@H](O)C1=NC2=C(NC1)[NH]C(N[Si](C)(C)C)=NC2=O | TMS | 311.1414 | Semi standard non polar | 2453.6082 |
RI00001285 | Dihydrobiopterin,1TMS,isomer#4 | JsmolC[C@H](O)[C@H](O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1 | TMS | 311.1414 | Semi standard non polar | 2307.2705 |
RI00001286 | Dihydrobiopterin,1TMS,isomer#5 | JsmolC[C@H](O)[C@H](O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O | TMS | 311.1414 | Semi standard non polar | 2381.1333 |
RI00001287 | Dihydrobiopterin,2TMS,isomer#1 | JsmolC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N)=NC2=O | TMS | 383.1809 | Semi standard non polar | 2330.2654 |
RI00001288 | Dihydrobiopterin,2TMS,isomer#2 | JsmolC[C@H](O[Si](C)(C)C)[C@H](O)C1=NC2=C(NC1)[NH]C(N[Si](C)(C)C)=NC2=O | TMS | 383.1809 | Semi standard non polar | 2348.6375 |
RI00001289 | Dihydrobiopterin,2TMS,isomer#3 | JsmolC[C@H](O[Si](C)(C)C)[C@H](O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O | TMS | 383.1809 | Semi standard non polar | 2316.5835 |
RI00001290 | Dihydrobiopterin,2TMS,isomer#4 | JsmolC[C@H](O[Si](C)(C)C)[C@H](O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1 | TMS | 383.1809 | Semi standard non polar | 2253.621 |
RI00001291 | Dihydrobiopterin,2TMS,isomer#5 | JsmolC[C@H](O)[C@H](O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N[Si](C)(C)C)=NC2=O | TMS | 383.1809 | Semi standard non polar | 2337.7537 |
RI00001292 | Dihydrobiopterin,2TMS,isomer#6 | JsmolC[C@H](O)[C@H](O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O | TMS | 383.1809 | Semi standard non polar | 2315.7498 |
RI00001293 | Dihydrobiopterin,2TMS,isomer#7 | JsmolC[C@H](O)[C@H](O[Si](C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1 | TMS | 383.1809 | Semi standard non polar | 2236.678 |
RI00001294 | Dihydrobiopterin,2TMS,isomer#8 | JsmolC[C@H](O)[C@H](O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N[Si](C)(C)C)=NC2=O | TMS | 383.1809 | Semi standard non polar | 2343.157 |
RI00001295 | Dihydrobiopterin,2TMS,isomer#9 | JsmolC[C@H](O)[C@H](O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O | TMS | 383.1809 | Semi standard non polar | 2407.351 |
RI00001296 | Dihydrobiopterin,2TMS,isomer#10 | JsmolC[C@H](O)[C@H](O)C1=NC2=C([NH]C(N[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1 | TMS | 383.1809 | Semi standard non polar | 2313.7297 |
RI00001297 | Dihydrobiopterin,2TMS,isomer#11 | JsmolC[C@H](O)[C@H](O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O | TMS | 383.1809 | Semi standard non polar | 2288.5813 |
RI00001298 | Dihydrobiopterin,1TBDMS,isomer#1 | JsmolC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C1=NC2=C(NC1)[NH]C(N)=NC2=O | TBDMS | 353.1883 | Semi standard non polar | 2616.5999 |
RI00001299 | Dihydrobiopterin,1TBDMS,isomer#2 | JsmolC[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)[NH]C(N)=NC2=O | TBDMS | 353.1883 | Semi standard non polar | 2607.204 |
RI00001300 | Dihydrobiopterin,1TBDMS,isomer#3 | JsmolC[C@H](O)[C@H](O)C1=NC2=C(NC1)[NH]C(N[Si](C)(C)C(C)(C)C)=NC2=O | TBDMS | 353.1883 | Semi standard non polar | 2636.3901 |