Accord 08271317192D 168178 0 0 0 0 0 0 0 0999 V2000 24.4167 7.1735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8376 7.5068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2584 7.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7515 6.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0819 6.5943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4753 6.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4753 5.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8962 6.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1529 8.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5148 8.0657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3129 6.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7292 6.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1455 6.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5618 6.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9781 6.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6745 7.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0908 7.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5071 7.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9233 7.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3396 7.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7560 7.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1722 7.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5885 7.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9781 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5885 6.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9489 6.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3094 6.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6698 6.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0302 6.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3907 6.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3441 5.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7102 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0762 5.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4422 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8082 5.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1743 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5403 5.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9063 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4704 9.0903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7261 9.3031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9772 9.1069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5901 9.7773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3344 9.5646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9883 9.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8174 8.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4133 9.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1740 9.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0834 9.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3920 10.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6444 9.3334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9001 9.5462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1513 9.3500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7642 10.0204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5085 9.8077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1623 10.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9914 9.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5874 9.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7554 10.4565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2574 10.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5661 10.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8133 8.8086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0690 9.0214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3202 8.8252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9331 9.4956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6774 9.2829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3312 9.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1603 8.6857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7563 8.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5170 9.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4263 9.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7350 9.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0555 8.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3141 8.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7183 8.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9874 9.0517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2431 9.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4942 9.0683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1071 9.7387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8514 9.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5053 9.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3343 8.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9303 9.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0984 10.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6003 9.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9090 9.9970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1562 8.5269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4119 8.7397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6631 8.5435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2760 9.2139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0203 9.0013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6742 9.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5032 8.4040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0992 8.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8599 8.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7692 9.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0779 9.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3984 8.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6570 8.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0613 8.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3303 8.7700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5860 8.9829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8371 8.7867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4500 9.4571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1943 9.2444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8482 9.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 8.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2732 8.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4413 9.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9433 9.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2519 9.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 8.6472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9337 8.0650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2834 8.2354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4742 8.0506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9731 8.6328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5412 8.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4233 8.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9433 7.8953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 7.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6235 8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6214 9.0193 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8724 8.8236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3277 8.2735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6532 8.6535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4022 8.8493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0025 8.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1218 8.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7654 8.1165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4238 9.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 9.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 9.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3794 10.4859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8471 11.0479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1026 11.2602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1107 12.0344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6431 11.4724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4469 11.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7548 10.7126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6942 11.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6302 12.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3875 11.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9324 11.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5814 10.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7096 10.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2912 10.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1006 11.8357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5683 12.3978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8239 12.6101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8319 13.3842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3643 12.8223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1681 13.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4760 12.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4154 13.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0464 13.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1088 12.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6536 13.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0686 12.0624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7325 11.4802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0822 11.6506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2729 11.4658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7719 12.0481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3400 11.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2221 11.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7421 11.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2729 11.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4223 11.8778 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 114115 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 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 108113 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 109123 1 0 0 0 0 134135 1 1 0 0 0 136135 1 1 0 0 0 137136 1 1 0 0 0 137138 1 0 0 0 0 138139 1 0 0 0 0 138143 1 0 0 0 0 134143 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 145146 1 0 0 0 0 145147 2 0 0 0 0 87134 1 0 0 0 0 148149 1 1 0 0 0 150149 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 148157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 153158 1 0 0 0 0 142148 1 0 0 0 0 159160 1 1 0 0 0 160161 1 1 0 0 0 162161 1 1 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 163168 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 159168 1 0 0 0 0 154159 1 0 0 0 0 M END > LMISSP0505EB01 > > Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C106H186N4O56 > 2411.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261740 > - > - > Active (generated by computational methods) > - $$$$