Accord 08271317192D 143150 0 0 0 0 0 0 0 0999 V2000 24.4118 7.1966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8278 7.5328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2436 7.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7494 6.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0741 6.6126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4624 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4624 5.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8784 6.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1457 8.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5022 8.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2901 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7014 6.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1128 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5241 6.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9355 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6547 7.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0661 7.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4774 7.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8888 7.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3000 7.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7115 7.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1228 7.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5341 7.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9355 5.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5341 6.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8891 6.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2442 6.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5991 6.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9541 6.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3092 6.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2962 5.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6568 5.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0175 5.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3781 5.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7387 5.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0994 5.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4600 5.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8207 5.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1813 5.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5420 5.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9026 5.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2632 5.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6239 5.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9845 5.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3452 5.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7058 5.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0665 5.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4271 5.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4659 9.1297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7153 9.3443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9601 9.1464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5697 9.8225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3203 9.6080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9713 9.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8073 9.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3914 9.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1501 9.5803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0756 9.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3784 10.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6160 9.3748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8653 9.5895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1101 9.3916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7197 10.0677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4704 9.8532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1213 10.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9574 9.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5414 9.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7110 10.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2257 10.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5285 10.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7608 8.8456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0102 9.0602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2550 8.8624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8646 9.5384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6152 9.3240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2662 9.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1023 8.7217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6863 9.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4450 9.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3705 9.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6733 9.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9966 8.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2574 8.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6566 8.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9109 9.0908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1603 9.3054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4051 9.1075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0147 9.7836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7653 9.5692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4162 9.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2523 8.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8364 9.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0059 10.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5206 9.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8234 10.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0558 8.5615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3052 8.7762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5499 8.5783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1596 9.2544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9102 9.0399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5611 9.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3972 8.4376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9812 8.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7399 9.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6655 9.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9683 9.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2915 8.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5523 8.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9515 8.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2058 8.8067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4552 9.0214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7000 8.8235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3096 9.4996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0602 9.2851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7112 9.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5472 8.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1313 8.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3008 9.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8155 9.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1183 9.7600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4740 9.0581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8591 8.5770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5753 7.8497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7989 7.9312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4136 8.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0454 8.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1871 8.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1177 7.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4379 8.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6975 9.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0634 8.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1364 8.6828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1435 8.0049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4915 7.8190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8839 7.2431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0182 8.0047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7026 7.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5011 8.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3709 7.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1119 6.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6701 8.1907 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 125124 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 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 119123 1 0 0 0 0 134135 1 1 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 137138 1 0 0 0 0 138139 1 0 0 0 0 138143 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 134143 1 0 0 0 0 118134 1 0 0 0 0 M END > LMISSP0505AO08 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C96H171N3O42 > 2038.13 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261091 > - > - > Active (generated by computational methods) > - $$$$