Accord 08271317192D 162171 0 0 0 0 0 0 0 0999 V2000 24.5421 6.7063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0876 6.9679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6329 6.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8049 6.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2793 6.2516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8032 5.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8032 5.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3486 6.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3350 7.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8342 7.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8907 5.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4325 6.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9743 5.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5161 6.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0580 5.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1745 6.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7163 6.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2582 6.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8000 6.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3417 6.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8836 6.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4254 6.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9672 6.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0580 5.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9672 6.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4651 5.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9631 6.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4611 5.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9590 6.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4570 5.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5603 5.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0627 5.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5650 5.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0674 5.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5697 5.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0721 5.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5744 5.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0768 5.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5843 8.2109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0000 8.3779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4122 8.2239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1083 8.7501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6926 8.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4209 8.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0717 8.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9695 8.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7817 8.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2805 8.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7378 8.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3660 8.4017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7817 8.5688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1939 8.4147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8900 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4743 8.7741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2026 8.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8534 8.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7513 8.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8832 9.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0622 8.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5195 9.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1437 7.9898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5594 8.1568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9716 8.0028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6677 8.5290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2520 8.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9803 8.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6310 7.8933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5289 8.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3411 8.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8399 8.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2972 8.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5488 7.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7518 7.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2841 7.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9254 8.1806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3411 8.3477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7533 8.1936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4494 8.7199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0337 8.5530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7620 8.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4128 8.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3106 8.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4426 9.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6216 8.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0789 8.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7030 7.7687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1188 7.9357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5310 7.7817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2271 8.3079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8114 8.1410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5397 8.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1904 7.6722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0883 7.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9005 8.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3993 8.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8566 8.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1082 7.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3112 7.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8435 7.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4848 7.9595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9005 8.1266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3127 7.9725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0088 8.4988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5931 8.3319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3214 8.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9721 7.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8700 8.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0020 8.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1810 8.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6383 8.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2624 7.5476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6782 7.7146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0904 7.5606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7865 8.0868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3707 7.9199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0991 8.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7498 7.4511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6477 7.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4599 7.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9586 8.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4160 8.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6676 7.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8706 7.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4029 7.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0441 7.7384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4599 7.9055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8721 7.7514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5682 8.2777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1524 8.1108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8808 8.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5315 7.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4294 7.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5614 8.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7403 8.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1977 8.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9178 7.9340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4392 7.5596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2183 6.9935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6139 7.0569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0924 7.4315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8058 7.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6945 7.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8621 6.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 7.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3134 7.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8199 7.6854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2226 9.0853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8047 9.5265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2204 9.6931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2267 10.3008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6446 9.8597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4906 10.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7323 9.2632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8997 10.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8495 10.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2290 9.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8717 10.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5962 9.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6968 8.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3683 9.3294 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 109113 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 121127 1 0 0 0 0 138139 1 1 0 0 0 140139 1 1 0 0 0 141140 1 1 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 142147 1 0 0 0 0 138147 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 143148 1 0 0 0 0 134138 1 0 0 0 0 149150 1 1 0 0 0 151150 1 1 0 0 0 152151 1 1 0 0 0 152153 1 0 0 0 0 153154 1 0 0 0 0 153158 1 0 0 0 0 149158 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 152157 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 160161 1 0 0 0 0 160162 2 0 0 0 0 112149 1 0 0 0 0 M END > LMISSP0505BW01 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C102H179N5O53 > 2322.15 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261356 > - > - > Active (generated by computational methods) > - $$$$