Accord 08271317192D 142149 0 0 0 0 0 0 0 0999 V2000 24.3202 7.5388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6454 7.9272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9704 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9301 6.8638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2232 6.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2232 5.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5483 6.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0128 8.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2692 8.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8685 6.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1882 6.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5080 6.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8277 6.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1476 6.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2899 7.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6096 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9294 7.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2491 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5688 7.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8887 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2084 7.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5282 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1476 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5282 6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7828 6.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0375 6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2921 6.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5467 6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8015 6.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4088 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6699 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9311 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1923 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4535 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7146 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9758 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2370 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4981 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7593 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0205 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2817 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5428 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8040 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0652 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3264 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8487 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3828 9.7725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5154 10.0205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6427 9.7919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1916 10.5732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0590 10.3253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6556 10.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6218 9.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9855 9.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7067 10.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9318 10.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1261 10.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0895 10.0559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2221 10.3039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3494 10.0752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8982 10.8565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7656 10.6087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3623 10.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3284 9.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6922 10.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8881 11.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6384 10.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8328 11.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7901 9.4443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9228 9.6923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0500 9.4636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5989 10.2449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4663 9.9971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0630 10.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0291 9.3011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3929 9.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1140 9.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3391 10.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5334 10.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9070 9.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2084 8.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5141 9.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4968 9.7276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6294 9.9756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7567 9.7470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3056 10.5283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1730 10.2804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7696 10.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7358 9.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0995 9.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2954 11.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0458 10.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2401 10.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1975 9.1160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3301 9.3640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4574 9.1354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0063 9.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8736 9.6688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4703 9.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4364 8.9728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8002 9.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5213 9.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7465 9.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9408 10.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3143 8.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6157 8.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9214 8.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9041 9.3994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0367 9.6474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1640 9.4187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7129 10.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5803 9.9522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1769 10.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1431 9.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 9.5949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7028 10.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4531 10.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6474 10.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0406 9.2166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0488 8.4332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2954 8.2183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5932 7.5529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7484 8.4329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3838 8.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4621 8.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 7.6754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8567 7.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5017 8.6479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6333 9.5448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6414 8.7615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8881 8.5466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1859 7.8812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3410 8.7612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9764 8.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0547 9.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7487 8.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4494 7.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0944 8.9762 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 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 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 105123 1 0 0 0 0 133134 1 1 0 0 0 134135 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 133142 1 0 0 0 0 80133 1 0 0 0 0 M END > LMISSP0505AU08 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C96H171N3O41 > 2022.14 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261139 > - > - > Active (generated by computational methods) > - $$$$