Accord 08271317192D 118123 0 0 0 0 0 0 0 0999 V2000 24.3206 7.5397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6462 7.9279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9715 7.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7106 6.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9307 6.8651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2241 6.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2241 5.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5497 6.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0133 8.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2702 8.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8702 6.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1904 6.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5105 6.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8306 6.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1509 6.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2914 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6115 7.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9317 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2518 7.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5718 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8922 7.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2122 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5324 7.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1509 5.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5324 6.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7874 6.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0425 6.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2976 6.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5526 6.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8078 6.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 5.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6740 5.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9356 5.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1972 5.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4588 5.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7204 5.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9820 5.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2436 5.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5052 5.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7667 5.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0283 5.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2899 5.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5515 5.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8131 5.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3832 9.7722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5162 10.0201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6440 9.7915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1932 10.5724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0601 10.3247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6569 10.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6225 9.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9872 9.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7085 10.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9324 10.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1272 10.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0917 10.0554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2248 10.3032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3525 10.0747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9017 10.8556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7686 10.6079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3654 10.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3310 9.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6957 10.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8915 11.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6409 10.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8357 11.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7942 9.4441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9273 9.6920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0551 9.4635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6042 10.2443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4711 9.9966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0680 10.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0336 9.3010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3983 9.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1195 9.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3434 10.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5382 10.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9115 9.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2127 8.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5188 9.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5027 9.7273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6358 9.9752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7636 9.7467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3127 10.5275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1796 10.2798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7765 10.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7421 9.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1068 9.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3026 11.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0519 10.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2467 10.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2052 9.1161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3383 9.3639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4661 9.1354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0152 9.9162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8821 9.6686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4790 9.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4446 8.9729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8093 9.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5306 9.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7545 9.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9492 10.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3226 8.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6238 8.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9299 8.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9078 8.5048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0409 8.7527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1686 8.5242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7178 9.3050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5847 9.0573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1815 9.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1471 8.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5118 8.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 9.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4570 9.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6518 9.6058 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 101108 1 0 0 0 0 M END > LMSP0505BG04 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C80H145N3O33 > 1675.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261231 > - > - > Active (generated by computational methods) > - $$$$