Accord 08271317192D 116121 0 0 0 0 0 0 0 0999 V2000 20.3813 7.7812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6419 8.2068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9023 7.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8088 7.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9538 7.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1210 8.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1793 6.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1793 5.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4399 7.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0444 8.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2297 8.9203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6950 6.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9497 7.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2044 6.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4591 7.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7139 6.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1567 8.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4114 7.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6661 8.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9208 7.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1754 8.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4303 7.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6849 8.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9396 7.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7139 5.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9396 7.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1229 6.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3064 7.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4897 6.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 7.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8565 6.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9044 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0949 5.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2854 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4759 5.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6665 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8570 5.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0475 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2380 5.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4285 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6190 5.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1261 10.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4499 10.2286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4995 10.5003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5433 10.2498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0491 11.1058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9994 10.8343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5575 11.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6160 10.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8233 10.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5178 10.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9557 11.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0730 11.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8415 10.5390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8912 10.8107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9350 10.5602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4407 11.4162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3911 11.1447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9491 11.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0077 10.3821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2150 10.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4296 11.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3474 11.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4646 11.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2266 9.8689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2763 10.1407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3201 9.8901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8258 10.7461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7762 10.4746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3342 10.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3928 9.7120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6001 10.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2945 10.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7325 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8497 11.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2590 9.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5892 9.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8285 9.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6183 10.1794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6679 10.4511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7118 10.2006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2175 11.0566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1679 10.7851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7259 11.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7845 10.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 10.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2064 11.6134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 11.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2414 11.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7884 12.3702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1087 13.0879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1582 13.3590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1685 14.3474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8482 13.6299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5977 14.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9909 12.6597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6367 13.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5550 14.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7988 13.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2177 14.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7695 12.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9332 12.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3989 12.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8788 14.0938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1991 14.8114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2485 15.0825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2588 16.0709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9386 15.3534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6881 15.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0812 14.3832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7270 15.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5327 16.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8892 15.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3080 15.8335 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 66 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 M END > LMSP0505EJ03 > > Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O33 > 1647.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261806 > - > - > Active (generated by computational methods) > - $$$$