Accord 08271317192D 175185 0 0 0 0 0 0 0 0999 V2000 24.4168 7.1747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8378 7.5079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2587 7.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7515 6.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0821 6.5956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4756 6.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4756 5.5838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8966 6.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1530 8.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5151 8.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3133 6.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7297 6.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1461 6.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5625 6.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9790 6.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6749 7.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0913 7.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5077 7.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9241 7.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3404 7.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7569 7.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1732 7.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5896 7.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9790 5.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5896 6.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9502 6.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3107 6.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6713 6.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0318 6.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3924 6.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3451 5.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7113 5.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0774 5.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4435 5.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8097 5.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1758 5.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5419 5.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9081 5.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2742 5.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6403 5.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0065 5.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3726 5.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7387 5.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1049 5.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4705 9.0911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7263 9.3039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9776 9.1077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5906 9.7780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3347 9.5654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9887 9.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8176 8.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4138 9.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1745 9.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0835 9.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3923 10.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6450 9.3342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9008 9.5470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1521 9.3508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7651 10.0211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5092 9.8085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1632 10.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9921 9.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5883 9.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7564 10.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2581 10.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5668 10.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8144 8.8095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0702 9.0223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3215 8.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9345 9.4964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6786 9.2838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3326 9.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1615 8.6866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7577 8.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5184 9.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4275 9.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7362 9.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0567 8.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3153 8.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7196 8.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9889 9.0526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2448 9.2653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4960 9.0692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1090 9.7395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8532 9.5268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5071 9.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3360 8.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9322 9.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1003 10.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6020 9.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9108 9.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1583 8.5279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4141 8.7406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6654 8.5445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2784 9.2148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0226 9.0021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6765 9.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5054 8.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1016 8.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8623 8.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7714 9.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0801 9.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4006 8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6592 8.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0635 8.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3328 8.7709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5887 8.9837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8399 8.7876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4529 9.4578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1971 9.2452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8510 9.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6799 8.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2761 8.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4442 9.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9459 9.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2547 9.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2726 8.6481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9365 8.0660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2863 8.2364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4772 8.0516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9761 8.6338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5443 8.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4261 8.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9463 7.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4772 7.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6263 8.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6244 9.0201 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8756 8.8245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3309 8.2745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6566 8.6545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4054 8.8502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0058 8.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 8.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7688 8.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 9.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 9.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2153 9.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3812 10.4865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8490 11.0484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1047 11.2607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1128 12.0347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6451 11.4728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4489 11.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7567 10.7131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6963 11.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6324 12.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3894 11.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9343 11.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5834 10.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7116 10.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2932 10.7974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1029 11.8361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5707 12.3980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8263 12.6103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8344 13.3843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3667 12.8224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1705 13.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4784 12.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4180 13.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0488 13.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1110 12.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6560 13.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7663 13.1089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0221 13.3217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2734 13.1255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8863 13.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6305 13.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2844 13.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1133 12.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7096 13.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8776 14.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3793 13.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6881 14.0540 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 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 77 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 102108 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 115129 1 0 0 0 0 140141 1 1 0 0 0 142141 1 1 0 0 0 143142 1 1 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 144149 1 0 0 0 0 140149 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 151152 1 0 0 0 0 151153 2 0 0 0 0 93140 1 0 0 0 0 154155 1 1 0 0 0 156155 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 154163 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 159164 1 0 0 0 0 148154 1 0 0 0 0 165166 1 1 0 0 0 167166 1 1 0 0 0 168167 1 1 0 0 0 168169 1 0 0 0 0 169170 1 0 0 0 0 169174 1 0 0 0 0 165174 1 0 0 0 0 166171 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 170175 1 0 0 0 0 161165 1 0 0 0 0 M END > LMISSP0505EA04 > > Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C112H198N4O57 > 2511.27 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261735 > - > - > Active (generated by computational methods) > - $$$$