Accord 08271317192D 119125 0 0 0 0 0 0 0 0999 V2000 24.2790 8.0924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5631 8.5044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8471 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6928 7.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8651 7.3765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1153 6.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1153 6.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3994 7.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9528 9.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1641 9.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6783 6.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9567 7.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2352 6.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5137 7.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7922 6.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1253 8.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4037 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6822 8.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9606 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2390 8.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5176 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7960 8.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0744 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7922 6.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0744 7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2838 6.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4933 7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7026 6.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9120 7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1214 6.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0085 5.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2248 6.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4411 5.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6574 6.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8737 5.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0900 6.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3064 5.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5227 6.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3453 10.4618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4253 10.7249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4996 10.4823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0210 11.3110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9411 11.0482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5133 11.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5381 10.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8025 10.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5067 11.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8669 11.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0123 11.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8520 10.7623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9319 11.0254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0062 10.7829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5277 11.6116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4478 11.3487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0199 11.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0447 10.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3092 10.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5169 12.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3736 11.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5190 11.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5034 11.0704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7497 10.4807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4018 9.5893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4502 9.6892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2036 10.2791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7523 10.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1518 10.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8409 9.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0077 9.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5517 11.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7745 10.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8841 8.2790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9640 8.5421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0383 8.2996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5598 9.1283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4799 8.8654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0520 9.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0769 8.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3413 8.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5491 9.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4057 9.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5511 9.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9473 7.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2670 7.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5306 7.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3844 7.6303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4644 7.8934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5387 7.6508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0602 8.4795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9802 8.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5524 8.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5772 7.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8416 7.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0494 9.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9060 8.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0514 8.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0358 7.9384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2822 7.3487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9343 6.4572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9826 6.5571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7361 7.1470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2848 6.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6842 7.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3734 6.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5401 6.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0842 8.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3069 7.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0736 7.4784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0822 6.6475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2831 6.4195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5383 5.7137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7029 6.6472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3161 6.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5207 7.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1353 5.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8178 5.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 6.8752 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 59 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 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 81 88 1 0 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 99108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 104109 1 0 0 0 0 95 99 1 0 0 0 0 110111 1 1 0 0 0 111112 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 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 110119 1 0 0 0 0 94110 1 0 0 0 0 M END > LMISSP0505DL01 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C78H140N2O37 > 1696.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261644 > - > - > Active (generated by computational methods) > - $$$$