Accord 08271317192D 177187 0 0 0 0 0 0 0 0999 V2000 24.4886 6.9077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9810 7.2000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4732 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7821 6.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1951 6.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 5.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1557 6.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2573 7.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6980 7.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6443 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1325 6.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6208 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1091 6.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5975 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9613 7.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4495 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9378 7.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4261 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9143 7.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4027 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8909 7.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3792 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5975 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3792 6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8185 6.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2579 6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6971 6.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1364 6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5758 6.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0417 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4859 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9301 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3743 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8185 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2627 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7069 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1511 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5953 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0395 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4837 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9280 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3722 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8164 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2606 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7048 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5932 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8832 8.7747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2267 8.6027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8873 9.1904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5398 9.0040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2364 9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9632 8.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7323 8.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5225 8.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1964 9.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5903 9.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0583 8.8013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4057 8.9878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7492 8.8158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4099 9.4035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0624 9.2171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7590 9.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4857 8.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2549 8.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4022 9.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7190 9.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1129 9.6300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5763 8.3412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9238 8.5278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2673 8.3558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9279 8.9435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5804 8.7570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2770 8.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0038 8.2335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7729 8.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5631 8.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2370 8.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6309 9.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9119 8.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1387 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6164 8.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0988 8.5543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4463 8.7409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7898 8.5689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4505 9.1566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1030 8.9702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7995 9.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5263 8.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2955 8.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4428 9.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7596 9.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1535 9.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6169 8.0942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9644 8.2808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3079 8.1088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9685 8.6965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6210 8.5101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3176 8.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0444 7.9865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8135 8.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6037 8.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2776 8.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6715 8.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9525 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1792 7.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6570 7.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1394 8.3074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4869 8.4940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8304 8.3220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4911 8.9097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1436 8.7233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8401 8.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5669 8.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3361 8.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4834 9.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8001 8.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1941 9.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6575 7.8473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0050 8.0339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3485 7.8619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0091 8.4496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6616 8.2632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3582 8.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0850 7.7396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8541 7.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6443 8.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3182 8.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7121 8.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9931 7.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2198 7.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6975 7.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 8.0605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5275 8.2470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8710 8.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5316 8.6628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1842 8.4763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8807 8.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6075 7.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3766 8.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 9.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8407 8.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2347 8.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2827 7.9230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2888 7.3337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7221 7.1720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1939 6.6714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3106 7.3335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0363 7.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5997 7.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6172 6.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3921 6.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8773 7.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2421 8.1699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2482 7.5806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6815 7.4190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1533 6.9184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2700 7.5804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9957 7.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5592 7.8982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5766 7.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3515 6.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8367 7.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2015 8.4168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2076 7.8275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6409 7.6659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1127 7.1653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2294 7.8273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9551 7.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5186 8.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5361 7.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3109 6.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7961 7.9890 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 2 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 81 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 106112 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 139138 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 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 131137 1 0 0 0 0 148149 1 1 0 0 0 149150 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 148157 1 0 0 0 0 130148 1 0 0 0 0 158159 1 1 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 162167 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 158167 1 0 0 0 0 105158 1 0 0 0 0 168169 1 1 0 0 0 169170 1 1 0 0 0 171170 1 1 0 0 0 171172 1 0 0 0 0 172173 1 0 0 0 0 172177 1 0 0 0 0 169174 1 0 0 0 0 170175 1 0 0 0 0 171176 1 0 0 0 0 168177 1 0 0 0 0 80168 1 0 0 0 0 M END > LMISSP0505BB08 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C116H204N4O55 > 2533.33 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261195 > - > - > Active (generated by computational methods) > - $$$$