Accord 08271317192D 122127 0 0 0 0 0 0 0 0999 V2000 24.3204 7.5399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6457 7.9283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9708 7.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9303 6.8651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2235 6.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2235 5.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5488 6.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0130 8.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2695 8.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8690 6.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1889 6.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5088 6.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8287 6.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1487 6.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2904 7.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6102 7.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9301 7.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2500 7.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5698 7.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8899 7.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2097 7.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5295 7.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1487 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5295 6.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7843 6.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0392 6.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2939 6.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5487 6.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8035 6.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4100 5.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6713 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9326 5.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1939 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4552 5.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7165 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9778 5.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2391 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5004 5.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7617 5.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0231 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2844 5.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5457 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 5.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0683 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3296 5.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5909 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8522 5.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3829 9.7733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5157 10.0213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6431 9.7927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1921 10.5738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0593 10.3260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6560 10.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6220 9.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9861 9.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7073 10.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9320 10.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1265 10.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0902 10.0566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2229 10.3045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3504 10.0759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8994 10.8571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7666 10.6093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3633 10.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3293 9.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6934 10.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8892 11.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6392 10.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8337 11.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7915 9.4451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9242 9.6931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0517 9.4645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6006 10.2456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4679 9.9978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0646 10.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0306 9.3019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3946 9.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1158 9.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3405 10.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5350 10.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9085 9.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2098 8.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5156 9.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4987 9.7284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6315 9.9764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7589 9.7477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3079 10.5289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1751 10.2811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7719 10.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7378 9.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1019 9.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2977 11.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0478 10.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2423 10.8298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2000 9.1169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3328 9.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4602 9.1363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0092 9.9174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8764 9.6696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4731 9.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4391 8.9737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8032 9.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5244 9.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7491 9.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9435 10.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3170 8.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6183 8.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9242 8.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9073 9.4002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0400 9.6482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1675 9.4196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7165 10.2007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5837 9.9529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1804 10.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1464 9.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5104 9.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7063 10.7088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4563 10.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6508 10.5016 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 M END > LMISSP0505AL08 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C84H151N3O33 > 1730.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261067 > - > - > Active (generated by computational methods) > - $$$$