RI00003051 | Bilirubin,3TMS,isomer#20 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 800.3821 | Standard non polar | 4548.03 |
RI00003052 | Bilirubin,4TMS,isomer#1 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O | TMS | 872.4216 | Standard non polar | 4738.77 |
RI00003053 | Bilirubin,4TMS,isomer#2 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O | TMS | 872.4216 | Standard non polar | 4439.711 |
RI00003054 | Bilirubin,4TMS,isomer#3 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard non polar | 4439.243 |
RI00003055 | Bilirubin,4TMS,isomer#4 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O | TMS | 872.4216 | Standard non polar | 4447.5796 |
RI00003056 | Bilirubin,4TMS,isomer#5 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard non polar | 4432.4644 |
RI00003057 | Bilirubin,4TMS,isomer#6 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard non polar | 4175.6587 |
RI00003058 | Bilirubin,4TMS,isomer#7 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O | TMS | 872.4216 | Standard non polar | 4541.001 |
RI00003059 | Bilirubin,4TMS,isomer#8 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard non polar | 4532.893 |
RI00003060 | Bilirubin,4TMS,isomer#9 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard non polar | 4240.896 |
RI00003061 | Bilirubin,4TMS,isomer#10 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard non polar | 4237.8765 |
RI00003062 | Bilirubin,4TMS,isomer#11 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O | TMS | 872.4216 | Standard non polar | 4540.736 |
RI00003063 | Bilirubin,4TMS,isomer#12 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard non polar | 4532.275 |
RI00003064 | Bilirubin,4TMS,isomer#13 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard non polar | 4240.624 |
RI00003065 | Bilirubin,4TMS,isomer#14 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard non polar | 4237.1216 |
RI00003066 | Bilirubin,4TMS,isomer#15 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard non polar | 4311.46 |
RI00003067 | Bilirubin | JsmolCC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1 | Underivatized | 584.2635 | Standard non polar | 3960.9548 |
RI00003068 | Bilirubin | JsmolCC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1 | Underivatized | 584.2635 | Semi standard non polar | 5932.5327 |
RI00003069 | Bilirubin,3TMS,isomer#1 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)NC1=O | TMS | 800.3821 | Semi standard non polar | 5049.514 |
RI00003070 | Bilirubin,3TMS,isomer#2 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)NC1=O | TMS | 800.3821 | Semi standard non polar | 5049.9844 |
RI00003071 | Bilirubin,3TMS,isomer#3 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O | TMS | 800.3821 | Semi standard non polar | 4880.119 |
RI00003072 | Bilirubin,3TMS,isomer#4 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O | TMS | 800.3821 | Semi standard non polar | 4872.3955 |
RI00003073 | Bilirubin,3TMS,isomer#5 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O | TMS | 800.3821 | Semi standard non polar | 5142.9883 |
RI00003074 | Bilirubin,3TMS,isomer#6 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)NC1=O | TMS | 800.3821 | Semi standard non polar | 4956.8164 |
RI00003075 | Bilirubin,3TMS,isomer#7 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 800.3821 | Semi standard non polar | 4952.2935 |