Accord 08271317182D 146153 0 0 0 0 0 0 0 0999 V2000 24.4093 8.1903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8234 8.5276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2373 8.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7481 7.6043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0706 7.6043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 8.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4567 7.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4567 6.5802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8708 7.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1424 9.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4967 9.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2805 7.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6899 7.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0992 7.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5086 7.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9180 7.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3273 7.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7367 7.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1461 7.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5554 7.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9648 7.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3742 7.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3818 6.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9731 6.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9807 5.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3917 5.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7994 5.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2105 5.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6181 5.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0293 5.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4368 5.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8481 5.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2556 5.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6668 5.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0744 5.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6464 8.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0558 8.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4651 8.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8745 8.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2838 8.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6933 8.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1026 8.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5120 8.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9214 8.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3308 8.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7401 8.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1494 8.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5588 8.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9682 8.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4637 10.1313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7100 10.3468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9516 10.1481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5596 10.8270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3133 10.6117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9628 10.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8024 10.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3805 10.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1382 10.5838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0718 10.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3717 11.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6019 10.3775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8482 10.5930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0898 10.3943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6978 11.0732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4515 10.8579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1010 11.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9406 10.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5188 10.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6890 11.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2100 11.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5099 11.3348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7349 9.8461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9812 10.0616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2228 9.8629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8308 10.5418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5846 10.3264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2341 10.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0736 9.7216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6518 10.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4094 10.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3430 10.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6429 10.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9675 9.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2294 9.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6261 9.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8679 9.3146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1142 9.5301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3558 9.3314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9638 10.0103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7176 9.7950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3671 9.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2066 9.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7848 9.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9550 10.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4760 9.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7759 10.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0009 8.7832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2472 8.9987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4889 8.8000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0969 9.4789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8506 9.2635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5001 9.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3396 8.6587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9178 8.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6755 9.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6090 9.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9089 9.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2335 8.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4954 8.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8921 8.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1340 8.2517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3802 8.4672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6219 8.2686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2299 8.9474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9836 8.7321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6331 8.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4726 8.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0508 8.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2210 9.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7420 8.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0419 9.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3907 8.5041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7733 8.0210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4883 7.2907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7087 7.3726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3259 7.8558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9562 7.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1027 7.8959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0288 6.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 7.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6111 8.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9744 8.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1742 7.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4799 7.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9735 7.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0601 8.1273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0672 7.4466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4125 7.2599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8024 6.6816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9372 7.4463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6204 7.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4264 7.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2914 6.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0314 6.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5918 7.6331 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 31 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 3 36 2 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 80 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 105112 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 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 119123 1 0 0 0 0 137138 1 1 0 0 0 138139 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 137146 1 0 0 0 0 118137 1 0 0 0 0 M END > LMISSP0504AP06 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C98H176N4O42 > 2081.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260737 > - > - > Active (generated by computational methods) > - $$$$