Accord 08271317192D 143150 0 0 0 0 0 0 0 0999 V2000 24.3200 7.5369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6450 7.9254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9698 7.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7103 6.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9298 6.8617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2226 6.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2226 5.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5476 6.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0125 8.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2687 8.5769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8675 6.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1871 6.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5066 6.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8262 6.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1458 6.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2891 7.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6086 7.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9282 7.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2477 7.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5672 7.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8869 7.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2064 7.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5259 7.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1458 5.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5259 6.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7803 6.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0348 6.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2892 6.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5436 6.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7981 6.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4068 5.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6677 5.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9287 5.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1897 5.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4506 5.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7116 5.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9725 5.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2335 5.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4944 5.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7554 5.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0163 5.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2773 5.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5382 5.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7992 5.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3826 9.7713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5150 10.0194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6420 9.7907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1907 10.5722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0584 10.3243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6549 10.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6213 9.6281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9846 9.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7057 10.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9315 10.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1255 10.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0883 10.0547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2206 10.3028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3477 10.0741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8964 10.8556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7641 10.6077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3606 10.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3270 9.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6903 10.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8863 11.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6371 10.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8312 11.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7880 9.4429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9203 9.6910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0474 9.4623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5961 10.2438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4638 9.9959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0603 10.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0267 9.2997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3900 9.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1110 9.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3368 10.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5309 10.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9046 9.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2060 8.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5115 9.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4937 9.7264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6260 9.9744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7530 9.7457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3018 10.5272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1694 10.2793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7660 10.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7324 9.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0957 9.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2916 11.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0425 10.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2366 10.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1934 9.1146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3257 9.3627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4527 9.1340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0015 9.9155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8691 9.6676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4657 9.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4321 8.9714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7954 9.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5164 9.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7422 9.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9363 10.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3099 8.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6114 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9169 8.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8990 9.3980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0314 9.6461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1584 9.4174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7072 10.1989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5748 9.9510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1713 10.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1378 9.2548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5011 9.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 10.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4479 10.1796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6420 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6192 11.3982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9987 12.0534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1309 12.3009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1403 13.2033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7609 12.5482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5322 12.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8911 11.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6547 12.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5802 13.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6287 12.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0982 12.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6890 11.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 11.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3507 11.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9628 12.9718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3423 13.6269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4744 13.8745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4838 14.7769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1044 14.1218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8757 14.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2347 13.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9983 14.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7338 15.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9723 13.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 14.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 93119 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 127133 1 0 0 0 0 M END > LMISSP0505AP04 > > Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C94H168N4O43 > 2041.11 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261095 > - > - > Active (generated by computational methods) > - $$$$