Accord 08271317192D 155163 0 0 0 0 0 0 0 0999 V2000 24.3400 7.4617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6847 7.8388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0293 7.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9611 6.8063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2747 6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2747 5.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6195 6.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0414 8.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3195 8.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9594 6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2989 6.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6384 6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9779 6.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3175 6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3686 7.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7081 7.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0476 7.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3871 7.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7265 7.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0662 7.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4056 7.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7451 7.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3175 5.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7451 6.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0214 6.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2978 6.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5740 6.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8503 6.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1266 6.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6002 5.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8828 5.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1654 5.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4480 5.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7307 5.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0133 5.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2959 5.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5785 5.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8612 5.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1438 5.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4264 5.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7091 5.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 5.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2743 5.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5569 5.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8396 5.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4007 9.6306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5585 9.8714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7112 9.6494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2731 10.4080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1153 10.1673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7237 10.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6618 9.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0731 9.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8023 10.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9628 10.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1805 10.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2030 9.9057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3608 10.1465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5134 9.9245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0754 10.6831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9176 10.4424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5260 10.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4641 9.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8754 10.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0656 11.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7651 10.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9828 10.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9995 9.3118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1573 9.5527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3099 9.3307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8719 10.0892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7141 9.8486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3225 10.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2606 9.1728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6718 9.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4011 9.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5616 10.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7793 10.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1420 8.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4346 8.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7605 8.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8018 9.5870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9596 9.8278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1122 9.6058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6742 10.3644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5164 10.1237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1248 10.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0628 9.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4741 9.7768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6643 10.8578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3639 10.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5816 10.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5983 8.9931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7561 9.2339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9087 9.0119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4707 9.7705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3129 9.5299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9212 9.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8593 8.8541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2706 9.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 9.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 9.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3781 10.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7408 8.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0334 8.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3593 8.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4006 9.2682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5584 9.5091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7110 9.2870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2730 10.0456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1152 9.8050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7235 10.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6616 9.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0729 9.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 10.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9626 10.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1804 10.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2006 9.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8202 8.4705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0844 8.6633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1687 8.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7334 9.1130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2446 8.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3743 8.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6996 8.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1687 7.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4693 8.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9823 11.2098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3800 11.8458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5376 12.0860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5467 12.9620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1491 12.3261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9271 12.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2755 11.4663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0754 12.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0031 12.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9915 12.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4765 12.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0794 11.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2245 11.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7510 11.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4038 12.7372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8015 13.3732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9591 13.6134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9682 14.4894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5706 13.8535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3486 14.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6970 12.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4969 14.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2109 14.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4130 13.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8980 14.2790 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 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 116121 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 142143 1 0 0 0 0 142144 2 0 0 0 0 95131 1 0 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 148147 1 1 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149154 1 0 0 0 0 145154 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 150155 1 0 0 0 0 139145 1 0 0 0 0 M END > LMISSP0505CP07 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C102H180N4O47 > 2213.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261506 > - > - > Active (generated by computational methods) > - $$$$