Accord 08271317192D 189200 0 0 0 0 0 0 0 0999 V2000 24.3912 7.1942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8071 7.5305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2229 7.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7290 6.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0536 6.6101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9756 7.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4417 6.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4417 5.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8576 6.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1252 8.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4815 8.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2691 6.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6803 6.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0915 6.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5027 6.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9140 6.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6338 7.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0450 7.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4562 7.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8674 7.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2787 7.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6900 7.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1012 7.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5124 7.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9140 5.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5124 6.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8672 6.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2221 6.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5769 6.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9317 6.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2866 6.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2745 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6350 5.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9956 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3561 5.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7166 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0771 5.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4376 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7980 5.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1585 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5190 5.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8796 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2401 5.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6006 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9611 5.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3216 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6821 5.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0426 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 5.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4657 9.3492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7149 9.5640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9594 9.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5690 10.0424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3198 9.8277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9706 10.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8070 9.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3906 9.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1492 9.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0753 10.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3779 10.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6149 9.5945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8640 9.8092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1086 9.6113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7181 10.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4689 10.0731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1198 10.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9561 9.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5398 9.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7093 10.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2244 10.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5270 10.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7588 9.0651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0080 9.2798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2526 9.0819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8621 9.7582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6129 9.5436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2637 9.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1001 8.9412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6837 9.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4423 9.5159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3684 9.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6710 10.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9943 8.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2552 8.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6542 8.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9080 9.3104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1572 9.5251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4017 9.3271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0112 10.0034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7620 9.7889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4129 9.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2492 9.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8329 9.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0024 10.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5175 9.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8202 10.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0520 8.7809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3011 8.9956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5457 8.7977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1552 9.4740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9060 9.2595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5569 9.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3931 8.6571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9768 8.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7354 9.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6615 9.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9642 9.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2874 8.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5483 8.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9473 8.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2011 9.0263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4503 9.2409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6948 9.0430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3043 9.7193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0551 9.5048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7060 9.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5423 8.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1260 9.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 10.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8107 9.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1132 9.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4684 9.2777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8533 8.7964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5694 8.0689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7927 8.1505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4076 8.6318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0393 8.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1815 8.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1117 7.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4316 8.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 9.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0573 8.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1313 8.9023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1384 8.2242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4863 8.0382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8785 7.4621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0128 8.2239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6971 7.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4962 8.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3656 7.5682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1066 7.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6649 8.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2859 10.7572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7489 11.3242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9979 11.5384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0060 12.3193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5431 11.7523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3452 12.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6558 10.9858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5858 11.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5214 12.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2941 11.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8350 12.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4809 10.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6102 10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1881 11.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9871 12.1189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4501 12.6859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6990 12.9001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7072 13.6810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2443 13.1141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0463 13.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3569 12.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2870 13.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9235 14.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9953 12.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5361 13.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6295 13.4031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8786 13.6178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1232 13.4198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7326 14.0962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4835 13.8816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1343 14.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9706 13.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5543 13.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7238 14.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2390 14.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5416 14.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9460 12.3476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9530 11.6694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3009 11.4835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6931 10.9074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8273 11.6691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5117 11.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3108 12.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1802 11.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 10.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4795 11.8552 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 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 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115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 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 119123 1 0 0 0 0 134135 1 1 0 0 0 135136 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 135140 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 134143 1 0 0 0 0 118134 1 0 0 0 0 144145 1 1 0 0 0 146145 1 1 0 0 0 147146 1 1 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 148153 1 0 0 0 0 144153 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 155156 1 0 0 0 0 155157 2 0 0 0 0 97144 1 0 0 0 0 158159 1 1 0 0 0 160159 1 1 0 0 0 161160 1 1 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 162167 1 0 0 0 0 158167 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 163168 1 0 0 0 0 152158 1 0 0 0 0 169170 1 1 0 0 0 171170 1 1 0 0 0 172171 1 1 0 0 0 172173 1 0 0 0 0 173174 1 0 0 0 0 173178 1 0 0 0 0 169178 1 0 0 0 0 170175 1 0 0 0 0 171176 1 0 0 0 0 172177 1 0 0 0 0 174179 1 0 0 0 0 165169 1 0 0 0 0 180181 1 1 0 0 0 181182 1 1 0 0 0 183182 1 1 0 0 0 183184 1 0 0 0 0 184185 1 0 0 0 0 184189 1 0 0 0 0 181186 1 0 0 0 0 182187 1 0 0 0 0 183188 1 0 0 0 0 180189 1 0 0 0 0 164180 1 0 0 0 0 6 50 1 0 0 0 0 M END > LMISSP0505AT06 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3(Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C122H216N4O61 > 2713.39 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261129 > - > - > Active (generated by computational methods) > - $$$$