Accord 08271317192D 161170 0 0 0 0 0 0 0 0999 V2000 24.4886 6.9074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9809 7.1997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4731 6.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7821 6.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1951 6.3997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 6.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 5.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1556 6.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2573 7.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6979 7.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6442 6.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1324 6.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6207 6.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1089 6.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5973 6.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9612 7.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4494 6.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9377 7.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4260 6.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9141 7.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4025 6.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8907 7.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3790 6.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5973 5.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3790 6.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8182 6.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2576 6.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6968 6.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1361 6.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5754 6.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0414 5.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4856 5.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9298 5.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3740 5.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8182 5.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2624 5.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7066 5.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1507 5.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5949 5.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0391 5.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4833 5.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9275 5.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8832 8.7745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2266 8.6025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8872 9.1902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5398 9.0038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2363 9.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9632 8.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7322 8.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5224 8.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1964 9.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5903 9.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0581 8.8010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4056 8.9876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7491 8.8156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4097 9.4034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0622 9.2169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7588 9.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4856 8.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2547 8.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4020 9.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7188 9.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1127 9.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5761 8.3409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9235 8.5275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2670 8.3555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9276 8.9433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5802 8.7568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2767 8.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0035 8.2332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7726 8.4880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5628 8.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2368 8.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6307 9.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9117 8.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1384 7.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6161 8.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0985 8.5541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4460 8.7407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7894 8.5687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4501 9.1564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1026 8.9700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7992 9.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5260 8.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2951 8.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4424 9.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7592 9.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1531 9.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6164 8.0940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9639 8.2806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3074 8.1086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9680 8.6963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6205 8.5099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3171 8.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0439 7.9863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8130 8.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6032 8.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2771 8.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6710 8.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9521 7.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1788 7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6565 7.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1389 8.3072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4863 8.4937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8298 8.3217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4904 8.9095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1430 8.7230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8395 8.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5664 8.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3354 8.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4828 9.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7996 8.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1935 9.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6568 7.8471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0043 8.0336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3478 7.8616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0084 8.4494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6609 8.2629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3575 8.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0843 7.7393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8534 7.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6436 8.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3175 8.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7114 8.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9924 7.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2192 7.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6968 7.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1793 8.0602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5267 8.2468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8702 8.0748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5308 8.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1833 8.4761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8799 8.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6067 7.9525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3758 8.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5232 9.0448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8400 8.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2339 8.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2819 7.9227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2881 7.3334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7213 7.1717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1931 6.6711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3098 7.3332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0355 7.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5990 7.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6164 6.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3913 6.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8765 7.4949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2012 8.4166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2073 7.8273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6406 7.6656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1123 7.1650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2290 7.8271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9547 7.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5182 8.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5357 7.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3105 6.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7958 7.9888 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 119118 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 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 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 125131 1 0 0 0 0 142143 1 1 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 146151 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 142151 1 0 0 0 0 124142 1 0 0 0 0 152153 1 1 0 0 0 153154 1 1 0 0 0 155154 1 1 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 156161 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 152161 1 0 0 0 0 74152 1 0 0 0 0 M END > LMSP0505CH03 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C104H184N4O51 > 2305.19 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261446 > - > - > Active (generated by computational methods) > - $$$$