Accord 08271317192D 132139 0 0 0 0 0 0 0 0999 V2000 24.3201 7.5374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6451 7.9259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9700 7.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7103 6.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9298 6.8623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2228 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2228 5.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5478 6.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0126 8.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2688 8.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8678 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1874 6.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5070 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8266 6.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1464 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2893 7.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6089 7.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9285 7.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2481 7.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5676 7.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8875 7.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2070 7.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5266 7.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1464 5.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5266 6.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7811 6.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0356 6.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2901 6.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5445 6.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7991 6.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4074 5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6684 5.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9294 5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1904 5.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4514 5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7125 5.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9735 5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2345 5.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3827 9.7716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5151 10.0197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6422 9.7910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1910 10.5725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0586 10.3246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6551 10.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6215 9.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9849 9.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7060 10.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9316 10.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1257 10.8735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0886 10.0550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2211 10.3031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3482 10.0744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8970 10.8559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7645 10.6080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3611 10.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3274 9.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6909 10.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8868 11.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6375 10.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8317 11.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7886 9.4433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9210 9.6914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0481 9.4627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5969 10.2441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4645 9.9963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0611 10.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0274 9.3001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3908 9.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1119 9.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3375 10.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5317 10.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9053 9.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2067 8.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5123 9.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4946 9.7267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6270 9.9748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7541 9.7461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3029 10.5275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1705 10.2797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7670 10.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7334 9.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0968 9.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2927 11.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0435 10.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2376 10.8286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1946 9.1150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3270 9.3631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4541 9.1344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0029 9.9158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8705 9.6679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4670 9.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4334 8.9718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7968 9.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5178 9.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7434 9.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9376 10.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3112 8.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6127 8.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9182 8.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9005 9.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0329 9.6465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1601 9.4178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7088 10.1992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5764 9.9513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1730 10.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1393 9.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5027 9.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6987 10.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4494 10.1799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6436 10.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0370 9.2156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0452 8.4321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2917 8.2171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5893 7.5516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7445 8.4318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3798 8.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4586 8.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1522 7.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 7.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 8.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6311 9.5439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6392 8.7604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8857 8.5455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1834 7.8799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3386 8.7601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9739 8.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0526 9.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7463 8.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4469 7.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0921 8.9751 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 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 71 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 70123 1 0 0 0 0 M END > LMISSP0505AU01 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C86H153N3O41 > 1884.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261132 > - > - > Active (generated by computational methods) > - $$$$