Accord 08271317192D 143150 0 0 0 0 0 0 0 0999 V2000 24.4887 6.9082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9811 7.2004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4733 6.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7822 6.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1952 6.4005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 6.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 5.5134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1558 6.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2574 7.6791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6981 7.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6444 6.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1327 6.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6211 6.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1094 6.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5978 6.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9614 7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4497 6.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9380 7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4264 6.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9146 7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4031 6.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8913 7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 6.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5978 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 6.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8189 6.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2583 6.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6977 6.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1370 6.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5764 6.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0420 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4863 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9305 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3748 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8190 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2632 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7075 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1517 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5960 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0402 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4845 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9287 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3730 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8172 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8833 8.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2268 8.6031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8875 9.1907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5399 9.0043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2365 9.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9633 8.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7325 8.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5227 8.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1965 9.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5904 9.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0585 8.8016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4060 8.9882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7495 8.8162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4102 9.4039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0627 9.2175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7593 9.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4860 8.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2552 8.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4026 9.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7192 9.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1132 9.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5767 8.3416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9242 8.5281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2678 8.3561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9284 8.9438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5809 8.7574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2775 8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0042 8.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7734 8.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5637 8.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2374 8.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6314 9.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9124 8.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1391 7.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6168 8.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0994 8.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4469 8.7413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7905 8.5693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4511 9.1570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1036 8.9705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8002 9.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5269 8.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2962 8.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4435 9.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7601 9.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1541 9.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6176 8.0947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9652 8.2812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3087 8.1092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9694 8.6969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6218 8.5105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3184 8.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0452 7.9870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8144 8.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6046 8.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2784 8.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6723 8.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9533 7.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1800 7.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6578 7.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1403 8.3078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4879 8.4944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8314 8.3224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4921 8.9100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1445 8.7236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8411 8.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5679 8.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3371 8.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4844 9.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8011 8.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1950 9.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6586 7.8477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0061 8.0343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3496 7.8623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0103 8.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6628 8.2636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3594 8.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0861 7.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8553 7.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6455 8.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3193 8.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7133 8.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 7.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2209 7.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6987 7.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1813 8.0609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5288 8.2474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8724 8.0754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5330 8.6631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1855 8.4767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8821 8.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6088 7.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 8.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 9.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8420 8.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 8.8895 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 115119 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 > LMSP0505BE04 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C94H168N4O43 > 2041.11 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261215 > - > - > Active (generated by computational methods) > - $$$$