Accord 08271317192D 175185 0 0 0 0 0 0 0 0999 V2000 24.4150 7.1785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8343 7.5127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2535 7.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7508 6.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0793 6.5977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4710 6.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4710 5.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8903 6.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1505 8.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5106 8.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3052 6.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7199 6.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1345 6.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5491 6.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9639 6.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6679 7.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0825 7.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4971 7.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9118 7.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3263 7.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7411 7.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1557 7.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5703 7.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9639 5.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5703 6.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9289 6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2876 6.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6462 6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0047 6.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3634 6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3281 5.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6923 5.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0565 5.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4208 5.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7850 5.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1492 5.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5134 5.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8776 5.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2419 5.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6061 5.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9703 5.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3345 5.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4689 9.1007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7225 9.3141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9715 9.1173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5833 9.7896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3297 9.5764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9826 9.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8140 8.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4060 9.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1660 9.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0808 9.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3875 10.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6349 9.3445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8885 9.5579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1375 9.3611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7493 10.0335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4957 9.8202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1486 10.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9800 9.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5720 9.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7406 10.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2468 10.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5535 10.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7958 8.8182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0493 9.0316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2984 8.8349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9102 9.5072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6566 9.2939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3095 9.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1409 8.6950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7328 8.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4929 9.2663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4076 9.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7143 9.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0358 8.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2951 8.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6977 8.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9618 9.0620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2153 9.2754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4644 9.0787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0762 9.7510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8226 9.5377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4755 9.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3069 8.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8988 9.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0674 10.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5736 9.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8803 10.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1226 8.5357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3762 8.7491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6252 8.5524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2370 9.2247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9834 9.0114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6363 9.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4677 8.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0597 8.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8197 8.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7345 9.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0412 9.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3626 8.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6220 8.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0245 8.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2886 8.7795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5422 8.9930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7912 8.7962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4030 9.4685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1494 9.2553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8023 9.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6337 8.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2257 8.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3943 9.9058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9005 9.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2072 9.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2252 8.6563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8880 8.0725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2359 8.2434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4244 8.0581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9248 8.6419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4916 8.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3791 8.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8949 7.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4244 7.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5770 8.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5720 9.0295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8210 8.8332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2747 8.2816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5983 8.6627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3493 8.8590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9486 8.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0711 8.5901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7108 8.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 8.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8957 9.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1586 9.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0641 8.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3818 8.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7730 8.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3492 10.5003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8154 11.0639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0688 11.2768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0769 12.0531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6108 11.4896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4141 11.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7228 10.7276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6592 11.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5951 12.0582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3574 11.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9010 11.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5490 10.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6776 10.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2579 10.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0640 11.8539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5302 12.4176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7836 12.6305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7917 13.4068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3256 12.8433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1288 13.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4376 12.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3740 13.0488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0068 13.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0722 12.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6157 13.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0291 12.0812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6919 11.4974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0398 11.6683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2283 11.4830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7287 12.0669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2955 11.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1830 11.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6988 11.3272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2283 11.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3809 11.8961 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 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 75 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 100106 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 113127 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 147152 1 0 0 0 0 152153 1 0 0 0 0 152154 2 0 0 0 0 91141 1 0 0 0 0 155156 1 1 0 0 0 157156 1 1 0 0 0 158157 1 1 0 0 0 158159 1 0 0 0 0 159160 1 0 0 0 0 159164 1 0 0 0 0 155164 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 160165 1 0 0 0 0 149155 1 0 0 0 0 166167 1 1 0 0 0 167168 1 1 0 0 0 169168 1 1 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 170175 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 166175 1 0 0 0 0 161166 1 0 0 0 0 M END > LMISSP0505DX03 > > Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C112H197N5O56 > 2508.27 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261710 > - > - > Active (generated by computational methods) > - $$$$