52948080 -OEChem-03282411152D 62 66 0 1 0 0 0 0 0999 V2000 6.5390 -0.4875 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.4050 -1.7196 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.3719 -3.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1142 1.8503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0390 -1.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7710 -0.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 -2.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0390 0.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8228 -1.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4865 0.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8319 0.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2231 -2.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5730 -0.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4904 -2.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1029 1.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1029 5.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6029 2.8194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1029 3.6854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5390 -2.2196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7710 0.3785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0390 -3.0856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9050 0.8785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5672 -2.4288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5080 1.0456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -3.4175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1029 1.9534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0390 -3.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0390 0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6029 2.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1029 3.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6029 4.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6029 4.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0385 -1.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5480 0.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3837 -3.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2180 1.3790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7263 -1.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6698 0.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4963 -4.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7655 2.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9313 -3.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6216 -3.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8269 -0.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8785 0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9507 -1.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6792 0.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4829 3.6854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9923 0.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7855 -2.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7229 3.6854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2929 5.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 1 13 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 2 14 2 0 0 0 0 3 25 1 0 0 0 0 3 29 1 0 0 0 0 4 26 1 0 0 0 0 4 30 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 27 9 1 1 0 0 0 9 53 1 0 0 0 0 28 10 1 6 0 0 0 10 54 1 0 0 0 0 11 57 1 0 0 0 0 12 58 1 0 0 0 0 15 33 2 0 0 0 0 16 35 2 0 0 0 0 17 39 2 0 0 0 0 18 40 2 0 0 0 0 29 19 1 6 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 30 20 1 6 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 33 1 0 0 0 0 21 39 1 0 0 0 0 21 59 1 0 0 0 0 22 35 1 0 0 0 0 22 40 1 0 0 0 0 22 61 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 23 41 1 6 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 1 0 0 0 25 31 1 0 0 0 0 25 43 1 1 0 0 0 26 32 1 0 0 0 0 26 44 1 6 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 34 37 2 0 0 0 0 34 55 1 0 0 0 0 36 38 2 0 0 0 0 36 56 1 0 0 0 0 37 39 1 0 0 0 0 37 60 1 0 0 0 0 38 40 1 0 0 0 0 38 62 1 0 0 0 0 M END > 52948080 > 1 > 1170 > 16 > 6 > 2 > AAADceB7vgMAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 1-[(1S,6S,8S,9S,10R,15R,17S,18R)-17-(2,4-dioxopyrimidin-1-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]pyrimidine-2,4-dione > 1-[(1S,6S,8S,9S,10R,15R,17S,18R)-17-(2,4-dioxo-1-pyrimidinyl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]pyrimidine-2,4-dione > 1-[(1S,6S,8S,9S,10R,15R,17S,18R)-17-(2,4-dioxopyrimidin-1-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]pyrimidine-2,4-dione > 1-[(1S,6S,8S,9S,10R,15R,17S,18R)-17-(2,4-dioxopyrimidin-1-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]pyrimidine-2,4-dione > 1-[(1S,6S,8S,9S,10R,15R,17S,18R)-17-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]pyrimidine-2,4-dione > 1-[(1S,6S,8S,9S,10R,15R,17S,18R)-17-(2,4-diketopyrimidin-1-yl)-3,9,12,18-tetrahydroxy-3,12-diketo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]pyrimidine-2,4-quinone > InChI=1S/C18H22N4O16P2/c23-9-1-3-21(17(27)19-9)15-11(25)13-7(35-15)5-33-40(31,32)38-14-8(6-34-39(29,30)37-13)36-16(12(14)26)22-4-2-10(24)20-18(22)28/h1-4,7-8,11-16,25-26H,5-6H2,(H,29,30)(H,31,32)(H,19,23,27)(H,20,24,28)/t7-,8+,11-,12+,13-,14+,15-,16-/m0/s1 > ADHSUZMEJHOWOL-SAHBABIRSA-N > -5.9 > 612.05060462 > C18H22N4O16P2 > 612.3 > C1C2C(C(C(O2)N3C=CC(=O)NC3=O)O)OP(=O)(OCC4C(C(C(O4)N5C=CC(=O)NC5=O)O)OP(=O)(O1)O)O > C1[C@@H]2[C@H]([C@H]([C@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(OC[C@H]4[C@@H]([C@@H]([C@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O1)O)O > 269 > 612.05060462 > 0 > 40 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 28 10 6 29 19 6 19 33 8 19 34 8 30 20 6 20 35 8 20 36 8 21 33 8 21 39 8 22 35 8 22 40 8 23 41 6 24 42 5 25 43 5 26 44 6 34 37 8 36 38 8 37 39 8 38 40 8 27 9 5 $$$$