Accord 08271317192D 163172 0 0 0 0 0 0 0 0999 V2000 24.3404 7.0143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6858 7.3912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0311 7.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9620 6.3598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2763 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2763 5.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6218 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0423 8.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3211 8.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9623 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3025 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6427 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9829 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3231 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6633 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0035 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3437 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6840 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0241 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3643 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7045 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0447 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3849 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7251 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0654 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4055 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7458 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0859 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4262 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3711 7.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7112 7.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0514 7.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3916 7.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7318 7.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0720 7.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4122 7.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7525 7.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0926 7.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4329 7.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7730 7.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1132 7.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 7.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7936 7.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 9.1818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5593 9.4225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7124 9.2006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2747 9.9588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 9.7183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 9.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6625 9.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0747 9.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8041 9.6872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 9.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1815 10.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2052 9.4568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3634 9.6975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5165 9.4756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0788 10.2337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9205 9.9933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5291 10.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4666 9.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8788 9.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0689 10.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7675 10.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9856 10.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0035 8.8633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1617 9.1040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3148 8.8821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8771 9.6402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7188 9.3998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3274 9.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2649 8.7243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6771 9.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4065 9.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5658 9.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7839 9.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1464 8.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4389 8.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7651 8.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8017 8.2698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9600 8.5105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1131 8.2886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6753 9.0468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5171 8.8063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1256 9.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0632 8.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4754 8.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6655 9.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3641 9.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5822 9.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 7.6763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7583 7.9170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9114 7.6951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4736 8.4533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3154 8.2128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9239 8.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8615 7.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2737 7.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0031 8.1816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1623 8.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3805 8.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7430 7.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0355 7.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3617 7.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3983 7.0828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5566 7.3235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7097 7.1016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2719 7.8598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1137 7.6193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7222 7.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6598 6.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 7.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2621 8.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9606 7.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1788 8.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1991 6.9439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8189 6.2855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0835 6.4782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1683 6.2692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7326 6.9276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2442 6.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3727 6.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6989 6.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1683 5.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 6.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9833 9.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3813 10.5273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5394 10.7674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5485 11.6429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1506 11.0074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9287 11.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2769 10.1481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0775 11.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0052 11.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9925 10.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4778 11.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0808 10.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2259 9.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7526 10.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2021 10.4560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3604 10.6967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5135 10.4748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0757 11.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9175 10.9925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5260 11.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4636 10.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8758 10.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0659 11.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7644 11.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9826 11.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0029 10.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0108 9.5569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2797 9.3483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5983 8.7026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7489 9.5566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3951 9.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4119 9.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 8.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8540 8.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 9.7652 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 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 101108 1 0 0 0 0 119120 1 1 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 114119 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 140141 1 0 0 0 0 140142 2 0 0 0 0 93129 1 0 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 146145 1 1 0 0 0 146147 1 0 0 0 0 147148 1 0 0 0 0 147152 1 0 0 0 0 143152 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 148153 1 0 0 0 0 136143 1 0 0 0 0 154155 1 1 0 0 0 155156 1 1 0 0 0 157156 1 1 0 0 0 157158 1 0 0 0 0 158159 1 0 0 0 0 158163 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 154163 1 0 0 0 0 149154 1 0 0 0 0 M END > LMISSP0504AZ04 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C106H188N4O51 > 2333.22 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260815 > - > - > Active (generated by computational methods) > - $$$$