Accord 08271317192D 155163 0 0 0 0 0 0 0 0999 V2000 24.3200 7.5363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6449 7.9249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9696 7.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7103 6.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9297 6.8611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2225 6.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2225 5.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5474 6.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0124 8.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2685 8.5764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8672 6.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1867 6.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5062 6.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8257 6.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1453 6.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2888 7.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6083 7.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9278 7.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2473 7.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5667 7.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8864 7.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2058 7.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5253 7.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1453 5.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5253 6.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7796 6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0340 6.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2884 6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5427 6.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7971 6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4062 5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6671 5.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9280 5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1889 5.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4497 5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7106 5.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9715 5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2324 5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4933 5.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7542 5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0151 5.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2759 5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5368 5.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7977 5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0586 5.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3195 5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3826 9.7709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5148 10.0190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6418 9.7903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1905 10.5719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0582 10.3239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6547 10.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6212 9.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9844 9.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7054 10.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9314 10.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1254 10.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0879 10.0544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2202 10.3025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3472 10.0737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8959 10.8553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7636 10.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3601 10.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3266 9.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6897 10.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8857 11.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6367 10.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8308 11.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7873 9.4425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9196 9.6906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0466 9.4619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5953 10.2435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4630 9.9956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0595 10.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0260 9.2993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3891 9.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1102 9.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3361 10.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5302 10.5446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9038 9.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2053 8.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5108 9.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4927 9.7260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6250 9.9741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7519 9.7454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3006 10.5269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1684 10.2790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7649 10.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7314 9.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0945 9.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2905 11.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0415 10.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2355 10.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1921 9.1141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3244 9.3623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4513 9.1335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0000 9.9151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8678 9.6672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4643 9.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4308 8.9709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7939 9.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5149 9.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7409 9.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9349 10.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 8.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6101 8.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9155 8.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8975 9.3976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0298 9.6457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1567 9.4170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7054 10.1985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5731 9.9506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1696 10.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1362 9.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4993 9.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6953 10.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4463 10.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6403 10.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6181 11.3980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9975 12.0532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1296 12.3008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1390 13.2033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7597 12.5481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5309 12.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8899 11.6622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6534 12.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5789 13.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6276 12.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0970 12.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6878 11.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8373 11.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3494 11.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9614 12.9717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3409 13.6269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4729 13.8745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4823 14.7770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1030 14.1218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8743 14.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2332 13.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9968 14.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7324 15.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9709 13.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4403 14.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 13.2359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3664 12.5572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6082 12.7559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6648 12.5404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2465 13.2192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7430 13.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9372 12.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2118 12.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 12.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0047 13.0207 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 2 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 95121 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 129135 1 0 0 0 0 146147 1 1 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 146155 1 0 0 0 0 141146 1 0 0 0 0 M END > LMISSP0505CL07 > > Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C102H180N4O47 > 2213.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261482 > - > - > Active (generated by computational methods) > - $$$$