Accord 08271317192D 112117 0 0 0 0 0 0 0 0999 V2000 21.2889 7.7486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5590 8.1688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8289 7.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7108 7.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8669 7.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0190 8.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1023 6.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1023 5.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3724 7.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9563 8.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1521 8.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6371 6.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9013 7.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1656 6.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4298 7.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6942 6.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0928 8.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3571 7.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6214 8.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8856 7.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1498 8.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4143 7.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6784 8.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9427 7.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6942 5.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9427 7.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1365 6.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3304 7.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5242 6.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7180 7.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9119 6.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8951 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0960 5.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2969 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4978 5.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6987 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 5.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1005 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3014 5.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5023 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7032 5.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9041 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 5.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0241 10.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3565 10.1646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4184 10.4329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4745 10.1856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9865 11.0306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9247 10.7626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4884 11.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5334 10.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7637 10.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4621 10.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8687 11.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9973 11.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7945 10.4711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8564 10.7393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9124 10.4920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4245 11.3371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3627 11.0690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9264 11.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9714 10.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2017 10.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4135 11.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3067 11.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4353 11.6626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3801 10.7853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6116 10.1839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2568 9.2750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2864 9.3768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0547 9.9783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5945 9.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0215 10.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6849 8.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8353 9.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4097 10.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6171 10.3860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7093 7.9389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7711 8.2072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8272 7.9599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3393 8.8049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2774 8.5369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8412 8.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8861 7.7841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1164 8.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8148 8.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2214 8.7841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 9.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7541 7.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0800 7.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3291 7.5782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1472 8.2454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2091 8.5136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2652 8.2663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7773 9.1114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7154 8.8433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2791 9.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3241 8.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7663 9.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6594 9.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7880 9.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2948 8.0477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3037 7.2004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4888 6.9680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7294 6.2483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8972 7.2001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5028 6.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7507 7.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3381 6.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0144 5.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7120 7.4326 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 63 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 74 78 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 86 92 1 0 0 0 0 103104 1 1 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 107112 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 103112 1 0 0 0 0 85103 1 0 0 0 0 M END > LMSP0505DF03 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C76H138N2O32 > 1590.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261614 > - > - > Active (generated by computational methods) > - $$$$