Accord 08271317192D 132139 0 0 0 0 0 0 0 0999 V2000 24.3204 7.0777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6456 7.4663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9705 7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9303 6.4029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2233 6.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2233 5.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5485 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0130 8.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2694 8.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8686 6.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1884 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5081 6.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8279 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1476 6.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4674 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7871 6.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1069 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4267 6.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7464 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0662 6.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3859 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7057 6.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0254 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2899 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6097 7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9294 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2492 7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5689 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8887 7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2085 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5282 7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8480 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1677 7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4875 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8072 7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1271 7.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4468 7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3828 9.3112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5154 9.5592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6427 9.3306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1916 10.1118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0590 9.8640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6556 10.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6217 9.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9855 9.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7066 9.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9318 10.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1261 10.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0894 9.5945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2220 9.8426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3493 9.6139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8982 10.3952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7656 10.1474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3622 10.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3284 9.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6921 9.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8880 10.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6384 10.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8327 10.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7901 8.9829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9227 9.2310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0500 9.0023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5988 9.7836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4662 9.5358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0629 9.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0290 8.8398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3928 9.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1139 9.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3391 9.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5334 10.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9069 8.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2083 8.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5140 8.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4907 8.3713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6233 8.6194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7506 8.3907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2995 9.1720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1669 8.9242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7635 9.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7297 8.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0934 8.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2893 9.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0397 9.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2340 9.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1914 7.7597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3240 8.0078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4513 7.7791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0001 8.5604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8675 8.3126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4642 8.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4303 7.6166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7941 7.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5152 8.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 8.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9347 8.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3082 7.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6096 7.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9153 7.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8980 8.0431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0306 8.2911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1579 8.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7068 8.8437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5742 8.5959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1708 8.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 7.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5007 8.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6966 9.3519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4470 8.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6413 9.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0345 7.8603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0426 7.0769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2893 6.8621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5871 6.1966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7422 7.0767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3776 6.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 7.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1499 6.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8506 5.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4956 7.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6392 9.9784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9565 9.5939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4053 10.1506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4840 10.4452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3299 10.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8280 10.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5257 9.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8625 10.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2205 9.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8812 10.1767 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 16 17 1 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 24 25 1 0 0 0 0 3 26 2 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 31 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 95113 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 71123 1 0 0 0 0 M END > LMISSP0504BC01 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C86H153N3O41 > 1884.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260836 > - > - > Active (generated by computational methods) > - $$$$