Accord 08271317192D 120125 0 0 0 0 0 0 0 0999 V2000 24.3203 7.5398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6456 7.9282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9707 7.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9302 6.8650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2234 6.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2234 5.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5487 6.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0129 8.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2695 8.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8690 6.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1888 6.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5087 6.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8286 6.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1485 6.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2903 7.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6102 7.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9300 7.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2499 7.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5697 7.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8897 7.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2095 7.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 7.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1485 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 6.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7841 6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0390 6.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2937 6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5485 6.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8033 6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4098 5.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6711 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9324 5.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1937 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4550 5.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7163 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9776 5.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2389 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5002 5.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7615 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0228 5.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2841 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5454 5.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0680 5.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3829 9.7732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5157 10.0212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6431 9.7926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1920 10.5737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0593 10.3259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6560 10.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6220 9.6300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9860 9.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7072 10.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9320 10.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1264 10.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0901 10.0565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2229 10.3045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3503 10.0759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8992 10.8570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7665 10.6092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3632 10.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3292 9.9133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6932 10.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8891 11.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6392 10.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8336 11.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7913 9.4450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9241 9.6930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0515 9.4644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6005 10.2455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4677 9.9977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0644 10.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0304 9.3018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3944 9.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1156 9.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3404 10.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5348 10.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9083 9.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2096 8.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5155 9.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4985 9.7283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6313 9.9763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7587 9.7477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3077 10.5288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1749 10.2810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7716 10.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7376 9.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1016 9.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2975 11.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0476 10.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2420 10.8298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1997 9.1168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3325 9.3648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4599 9.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0089 9.9173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8761 9.6695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4728 9.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4388 8.9736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8029 9.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5240 9.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7488 9.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9432 10.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 8.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6181 8.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9239 8.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9069 9.4001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0397 9.6481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1671 9.4195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7161 10.2006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5833 9.9528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1800 10.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1460 9.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5101 9.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7059 10.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4560 10.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6504 10.5016 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 M END > LMISSP0505AL05 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C82H149N3O33 > 1704.01 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261064 > - > - > Active (generated by computational methods) > - $$$$