Accord 08271317192D 124130 0 0 0 0 0 0 0 0999 V2000 24.2856 7.6665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5764 8.0747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8669 7.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6956 6.9572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8755 6.9572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1326 6.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1326 5.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4234 6.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9625 8.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1810 8.7592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7088 6.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9939 6.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2790 6.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5641 6.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8493 6.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1517 8.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4368 7.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7219 8.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0070 7.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2920 8.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5772 7.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8622 8.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 7.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8493 5.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 6.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3639 6.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5807 6.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7973 6.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0139 6.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2306 6.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0728 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2963 5.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5198 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7433 5.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9668 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 5.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4139 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6374 5.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8609 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0844 5.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3513 10.0141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4397 10.2748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5225 10.0345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0484 10.8556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9600 10.5951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5361 10.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5515 9.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8319 10.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5388 10.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8773 10.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0306 11.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8901 10.3119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9785 10.5726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0613 10.3323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5872 11.1533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4988 10.8929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0749 11.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0903 10.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3707 10.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5765 11.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4161 11.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5694 11.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4226 9.6691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5110 9.9298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5938 9.6895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1197 10.5106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0313 10.2501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6074 10.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6228 9.5186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9032 9.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6101 10.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9486 10.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1019 10.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4945 9.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8112 9.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0815 9.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9614 9.9669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0498 10.2276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1326 9.9873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6585 10.8084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5701 10.5479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1462 10.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1616 9.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4420 10.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6478 11.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4874 10.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6407 11.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6436 10.2722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8969 9.6879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5522 8.8046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6092 8.9036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3558 9.4881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9086 9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2952 9.5366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9964 8.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2758 9.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7007 10.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9306 9.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3817 9.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7514 9.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1390 8.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0484 7.5064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1368 7.7671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2196 7.5268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7455 8.3479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6571 8.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2332 8.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2486 7.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 7.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 8.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5744 8.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7277 8.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6626 9.8164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6712 8.9931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8795 8.7673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1415 8.0680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3046 8.9928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9213 8.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1056 9.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7330 8.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4184 7.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0963 9.2188 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 97104 1 0 0 0 0 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 85115 1 0 0 0 0 M END > LMISSP0505AH02 > > Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C82H147N3O37 > 1765.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261029 > - > - > Active (generated by computational methods) > - $$$$