Accord 08271317192D 156164 0 0 0 0 0 0 0 0999 V2000 24.4092 7.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8230 7.4251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2365 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7481 6.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0703 6.5013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9958 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4561 6.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4561 5.4767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8699 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1422 7.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4962 7.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2792 6.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6882 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0973 6.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5063 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9154 6.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3244 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7335 6.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1425 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5516 6.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9606 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3696 6.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7787 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1877 6.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5967 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0057 6.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4148 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8238 6.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2329 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6419 6.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0510 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6453 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0543 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4633 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8724 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2814 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6905 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0995 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5086 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9176 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3267 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7357 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1447 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5538 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9628 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 9.0289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7096 9.2445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9511 9.0458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5590 9.7248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3129 9.5094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9623 9.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8021 8.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3799 9.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1375 9.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0715 9.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3713 9.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6011 9.2752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8472 9.4908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0886 9.2920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6965 9.9711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4504 9.7557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0999 9.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9396 9.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5174 9.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6877 10.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2091 9.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5088 10.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7334 8.7436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9795 8.9592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2209 8.7605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8288 9.4395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5828 9.2241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2322 9.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0719 8.6192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6498 8.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4074 9.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3414 9.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6411 9.7011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9658 8.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2277 8.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6243 8.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8657 8.2121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1118 8.4276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3533 8.2289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9612 8.9079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7151 8.6925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3645 8.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2042 8.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7821 8.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9523 9.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4737 8.8912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7734 9.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9980 7.6805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2441 7.8960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4856 7.6973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0935 8.3764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8474 8.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4968 8.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3366 7.5560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9144 7.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 8.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6060 8.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9058 8.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2304 7.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4924 7.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8889 7.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1304 7.1489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3765 7.3645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6179 7.1657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2258 7.8448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9797 7.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6291 7.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4689 7.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0467 7.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2170 8.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7383 7.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0381 8.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3865 7.4014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7689 6.9181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4839 6.1877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7040 6.2695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3214 6.7529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9516 6.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0984 6.7930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0242 5.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4283 6.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6067 7.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 7.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1698 6.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 6.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9691 6.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0562 7.0244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0633 6.3436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4085 6.1568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7982 5.5784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9331 6.3433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6162 6.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4226 6.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2874 5.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0272 5.1912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5879 6.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2370 9.6648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6978 10.2340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9437 10.4491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9519 11.2332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4912 10.6640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2924 11.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6043 9.8944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5300 10.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4652 11.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2452 10.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7842 11.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4287 9.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5586 9.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1347 9.9798 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 121120 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 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 115119 1 0 0 0 0 133134 1 1 0 0 0 134135 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 133142 1 0 0 0 0 114133 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 149154 1 0 0 0 0 154155 1 0 0 0 0 154156 2 0 0 0 0 93143 1 0 0 0 0 M END > LMISSP0504BF04 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C102H181N5O47 > 2228.19 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260855 > - > - > Active (generated by computational methods) > - $$$$