Accord 08271317192D 151159 0 0 0 0 0 0 0 0999 V2000 24.3405 7.0153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6858 7.3923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0310 7.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7189 6.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9620 6.3607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9954 7.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2762 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2762 5.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6216 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0422 8.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3209 8.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9620 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3021 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6423 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9824 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3225 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6626 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0027 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3428 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6829 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0230 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3632 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7033 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0434 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3834 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7236 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0637 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4038 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7440 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3708 7.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7109 7.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0510 7.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3911 7.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7312 7.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0714 7.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4115 7.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7516 7.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0916 7.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4318 7.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7719 7.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1120 7.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4522 7.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7923 7.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 9.1827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5594 9.4234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7125 9.2015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2748 9.9597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1165 9.7192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 9.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6626 9.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0748 9.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8042 9.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 9.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1816 10.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2053 9.4577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3636 9.6984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5167 9.4765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0789 10.2346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9206 9.9941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5292 10.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4668 9.3187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8790 9.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0691 10.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7676 10.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9858 10.5267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0037 8.8642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1620 9.1049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3151 8.8830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8773 9.6411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7190 9.4007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3276 9.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2652 8.7253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6774 9.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4068 9.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5660 9.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7842 9.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1467 8.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4391 8.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7654 8.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8020 8.2707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9603 8.5114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1135 8.2895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6757 9.0477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5174 8.8072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1260 9.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0635 8.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4758 8.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6659 9.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3644 9.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5826 9.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6004 7.6773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7587 7.9179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9119 7.6961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4741 8.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3158 8.2137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9244 8.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8619 7.5383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 7.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0035 8.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1628 8.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3809 8.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7434 7.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0359 7.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3621 7.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3988 7.0838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5571 7.3245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7102 7.1026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2725 7.8607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1142 7.6202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7228 7.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6603 6.9448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0725 7.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2626 8.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9611 7.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1793 8.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1996 6.9448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8194 6.2865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0840 6.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1689 6.2702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7332 6.9286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2447 6.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3732 6.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6995 6.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1689 5.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4686 6.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9836 9.8926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3817 10.5282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5398 10.7683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5489 11.6437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1510 11.0082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9291 11.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2773 10.1489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0779 11.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0056 11.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9929 10.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4782 11.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0812 10.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2262 9.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7530 10.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 10.4569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3609 10.6975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5140 10.4757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0762 11.2338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9179 10.9933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5265 11.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4641 10.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8763 10.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0664 11.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7649 11.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9831 11.5259 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 3 30 2 0 0 0 0 30 31 1 0 0 0 0 31 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 112117 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 133138 1 0 0 0 0 138139 1 0 0 0 0 138140 2 0 0 0 0 91127 1 0 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 141150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 146151 1 0 0 0 0 134141 1 0 0 0 0 M END > LMISSP0504AY03 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C98H174N4O47 > 2159.13 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260806 > - > - > Active (generated by computational methods) > - $$$$