Accord 08271317192D 100104 0 0 0 0 0 0 0 0999 V2000 22.1929 7.7266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4694 8.1431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7457 7.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6111 7.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7746 7.0031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9166 8.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0167 6.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0167 5.7387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2933 6.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8633 8.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0661 8.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5644 6.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8351 6.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1059 6.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3766 6.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6475 6.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0162 8.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2869 7.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5576 8.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8284 7.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0990 8.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3700 7.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6406 8.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9113 7.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6475 5.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9113 7.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1122 6.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3132 7.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5142 6.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7151 7.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9161 6.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8554 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0633 5.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2712 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4792 5.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6871 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8950 5.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1030 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3109 5.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5188 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7268 5.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9216 10.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2600 10.1214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3300 10.3873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3944 10.1421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9108 10.9797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8407 10.7140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4083 10.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4441 9.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6899 10.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3909 10.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7764 10.9590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9127 11.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7293 10.4251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7994 10.6910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8638 10.4459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3801 11.2835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3100 11.0178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8776 11.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9134 10.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1592 10.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3693 11.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2457 11.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3820 11.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1922 9.7695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2623 10.0353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3267 9.7902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8431 10.6278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7730 10.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3405 10.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3763 9.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6222 9.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3232 10.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7087 10.6071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8449 10.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2454 9.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5685 9.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8242 9.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6615 10.0732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7316 10.3391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7960 10.0940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3124 10.9316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2423 10.6659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8099 10.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8456 9.9197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0915 10.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3015 11.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1780 10.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3143 11.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 9.4176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1945 9.6834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2589 9.4383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7753 10.2759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7052 10.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2728 10.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3085 9.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7644 10.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6409 10.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7772 10.5986 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 86 90 1 0 0 0 0 M END > LMISSP0505BJ02 > > Galbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C68H124N2O28 > 1416.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261253 > - > - > Active (generated by computational methods) > - $$$$