Accord 08271317192D 116121 0 0 0 0 0 0 0 0999 V2000 20.4867 7.7985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7422 8.2270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9976 7.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9171 7.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0563 7.0540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2314 8.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2764 6.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2764 5.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5320 7.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1475 8.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3272 8.9455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7820 6.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0316 7.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2812 6.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5308 7.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7805 6.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2469 8.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4964 7.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7460 8.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9956 7.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2451 8.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4949 7.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7444 8.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9940 7.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7805 5.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9940 7.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1717 6.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3496 7.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5273 6.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7050 7.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8829 6.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9654 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1504 5.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3353 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5203 5.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7053 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8902 5.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0752 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2602 5.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4451 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6301 5.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2365 10.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5557 10.2627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5988 10.5363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6361 10.2841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1384 11.1459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0953 10.8725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6503 11.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7161 10.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9111 10.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6035 10.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0581 11.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1694 11.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9226 10.5753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9658 10.8489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0030 10.5966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5054 11.4585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4623 11.1851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0173 11.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0831 10.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2781 10.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4942 12.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4251 11.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5363 11.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4401 10.8957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6563 10.2824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2945 9.3553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3047 9.4592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0883 10.0727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6190 9.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0744 10.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7112 8.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8446 9.7797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4504 10.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6420 10.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8555 12.4190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1711 13.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2141 13.4145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2244 14.4097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9089 13.6873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6566 14.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0525 12.7104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6890 13.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6067 14.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8659 13.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2808 14.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8296 12.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9944 12.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4564 12.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9259 14.1544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2416 14.8769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2845 15.1499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2949 16.1451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9793 15.4226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7271 15.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1229 14.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7594 15.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5706 16.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9364 15.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3512 15.9060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8897 16.3714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2054 17.0940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2483 17.3670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2587 18.3622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9431 17.6397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6909 18.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0867 16.6628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7232 17.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4650 18.7332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9002 17.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3151 18.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8638 16.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0287 16.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4907 16.7713 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 63 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 66 78 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 86 92 1 0 0 0 0 103104 1 1 0 0 0 105104 1 1 0 0 0 106105 1 1 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 107112 1 0 0 0 0 103112 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 114115 1 0 0 0 0 114116 2 0 0 0 0 100103 1 0 0 0 0 M END > LMISSP0506AM03 > > Galalpha1-3(GalNAcbeta1-4Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O33 > 1647.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261910 > - > - > Active (generated by computational methods) > - $$$$