Accord 08271317192D 114119 0 0 0 0 0 0 0 0999 V2000 24.2857 7.6676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5766 8.0757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8673 7.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6957 6.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8757 6.9584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1329 6.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1329 5.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4238 6.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9626 8.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1813 8.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7094 6.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9946 6.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2798 6.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5650 6.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8503 6.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1522 8.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4374 7.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7226 8.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0078 7.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2929 8.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5783 7.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8635 8.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1487 7.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8503 5.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1487 6.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3654 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5823 6.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7990 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0158 6.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2327 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0740 5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2976 5.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5213 5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7449 5.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9686 5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1922 5.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4159 5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6395 5.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8632 5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0868 5.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3515 10.0148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4400 10.2754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5230 10.0351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0489 10.8561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9604 10.5957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5365 10.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5518 9.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8324 10.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5394 10.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8775 10.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0309 11.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8908 10.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9794 10.5731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0624 10.3329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5883 11.1538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4998 10.8934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0759 11.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0911 10.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3718 10.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5776 11.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4169 11.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5703 11.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4239 9.6699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5125 9.9305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5955 9.6902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1214 10.5112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0329 10.2508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6090 10.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6242 9.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9049 9.8753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6119 10.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9500 10.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1034 10.8275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4959 9.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8126 9.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0831 9.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9633 9.9676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0519 10.2282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1348 9.9879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6608 10.8089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5723 10.5485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1484 10.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1636 9.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4443 10.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6501 11.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4894 10.7886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6428 11.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6461 10.2728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8995 9.6886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5548 8.8055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6121 8.9045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3585 9.4889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9114 9.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2978 9.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9992 8.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1738 9.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7033 10.3720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9333 9.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0513 7.5075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1399 7.7681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2228 7.5279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7488 8.3488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6603 8.0884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2364 8.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2516 7.3571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5323 7.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7381 8.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 8.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7308 8.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1233 7.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 6.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7104 7.1570 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 86 90 1 0 0 0 0 101102 1 1 0 0 0 103102 1 1 0 0 0 104103 1 1 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105110 1 0 0 0 0 101110 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 112113 1 0 0 0 0 112114 2 0 0 0 0 97101 1 0 0 0 0 M END > LMISSP0505EL02 > > GalNAcbeta1-3Galalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O33 > 1619.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261813 > - > - > Active (generated by computational methods) > - $$$$