Accord 08271317182D 123129 0 0 0 0 0 0 0 0999 V2000 24.3060 7.5119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6173 7.9086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9283 7.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7041 6.8233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9078 6.8233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 7.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1863 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1863 5.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4977 6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9923 8.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2334 8.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8038 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1095 6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4153 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7211 6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0269 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3326 6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6385 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9442 6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2500 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5557 6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8615 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1673 6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4730 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7789 6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0846 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3904 6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6961 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0020 6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3077 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6135 6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2339 7.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5396 7.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8453 7.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1512 7.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4569 7.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7627 7.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0684 7.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3743 7.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6800 7.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9858 7.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2916 7.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5973 7.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9031 7.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2088 7.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3698 9.7926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4842 10.0459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5931 9.8124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1325 10.6101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0181 10.3571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6063 10.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5927 9.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9221 9.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6373 10.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9093 10.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0867 10.9175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0071 10.0819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1215 10.3352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2304 10.1017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7698 10.8994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6554 10.6464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2436 10.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2301 9.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5594 10.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7594 11.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5466 10.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7240 11.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2747 12.0970 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3890 12.3502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4979 12.1168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0373 12.9145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9230 12.6614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5111 12.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4976 11.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8269 12.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0269 13.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8141 12.8948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9915 13.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0513 12.3935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3258 11.8259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9909 10.9678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0748 11.0640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8001 11.6318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3657 11.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7128 11.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4510 10.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6489 11.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1352 12.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3870 12.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6754 10.6276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9499 10.0599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6150 9.2018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6990 9.2980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4242 9.8658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9898 9.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3370 9.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0751 8.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2730 9.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7593 10.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0111 10.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2995 8.8616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5740 8.2939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2392 7.4358 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3231 7.5320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0484 8.0999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6139 7.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9611 8.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6992 6.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8971 7.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3834 8.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6352 8.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9236 7.0956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1981 6.5280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8633 5.6699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9472 5.7660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6725 6.3339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2380 6.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5852 6.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3233 5.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5212 6.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0075 7.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2593 6.7187 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 16 17 1 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 24 25 1 0 0 0 0 25 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 3 32 2 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 76 80 1 0 0 0 0 91 92 1 1 0 0 0 93 92 1 1 0 0 0 94 93 1 1 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 95100 1 0 0 0 0 91100 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 96101 1 0 0 0 0 87 91 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 98102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 109113 1 0 0 0 0 M END > LMSP0502AW04 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C82H149NO38 > 1755.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260343 > - > - > Active (generated by computational methods) > - $$$$