Accord 08271317192D 131137 0 0 0 0 0 0 0 0999 V2000 24.2928 7.6422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5907 8.0463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8884 7.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6987 6.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8868 6.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 8.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1514 6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1514 5.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4493 6.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9729 8.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1993 8.7239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7419 6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0342 6.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3265 6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6187 6.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9111 6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1803 8.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4726 7.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7649 8.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0572 7.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3493 8.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6418 7.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9340 8.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2262 7.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9111 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2262 6.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4507 6.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6753 6.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8999 6.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3490 6.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1424 5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3737 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6051 5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8364 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0677 5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2990 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5303 5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7616 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9930 5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2243 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4556 5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6869 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9182 5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1496 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3809 5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6122 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8435 5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0748 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3579 9.9662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4554 10.2243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5474 9.9864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0781 10.7992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9805 10.5414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5609 10.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5661 9.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8637 10.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5736 10.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8886 10.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0504 11.1124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9314 10.2610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0290 10.5190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1210 10.2812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6517 11.0940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5541 10.8362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1345 11.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1397 10.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4373 10.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6411 11.6227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4622 11.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6240 11.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4988 9.6247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5964 9.8827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6884 9.6449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2190 10.4577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1215 10.1999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7018 10.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7070 9.4757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0047 9.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7145 10.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0296 10.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1913 10.7709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5800 9.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8935 9.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1712 9.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0724 9.9195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1699 10.1775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2620 9.9396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7926 10.7525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6951 10.4946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2754 10.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2806 9.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5782 10.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7821 11.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6031 10.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7649 11.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6397 9.2832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7373 9.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8293 9.3033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3600 10.1162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2624 9.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8428 10.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8479 9.1342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1456 9.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8555 9.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1705 10.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3323 10.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7209 8.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0345 8.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3121 8.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3615 10.3189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9539 9.6130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1655 9.8196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1843 9.5956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7893 10.3015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2656 10.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5476 9.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7531 9.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 9.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5778 10.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2144 9.7293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2228 8.9143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4390 8.6907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7085 7.9984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8699 8.9140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4906 8.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6529 9.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2940 8.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9826 7.5349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6537 9.1377 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 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 113114 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 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 112121 1 0 0 0 0 106112 1 0 0 0 0 122123 1 1 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 125126 1 0 0 0 0 126127 1 0 0 0 0 126131 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 122131 1 0 0 0 0 80122 1 0 0 0 0 M END > LMISSP0505CN06 > > Fucalpha1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C90H163N3O36 > 1862.10 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261489 > - > - > Active (generated by computational methods) > - $$$$