Accord 08271317192D 98102 0 0 0 0 0 0 0 0999 V2000 22.2284 7.7319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5034 8.1493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7782 7.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6475 7.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8092 7.0068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9537 8.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0497 6.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0497 5.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3247 6.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8981 8.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0992 8.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5943 6.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8635 6.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1327 6.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4018 6.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6711 6.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0470 8.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3162 7.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5854 8.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8546 7.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1237 8.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3930 7.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6621 8.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9313 7.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6711 5.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9313 7.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1305 6.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3298 7.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5290 6.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7282 7.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9275 6.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8774 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0836 5.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2898 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4961 5.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9086 5.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1148 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3210 5.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9587 10.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2956 10.1318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3637 10.3982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4261 10.1526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9414 10.9919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8733 10.7257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4400 10.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4780 9.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7201 10.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4205 10.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8110 10.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9455 11.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7574 10.4362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8255 10.7026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8879 10.4570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4032 11.2963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3351 11.0301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9018 11.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9398 10.2823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1819 10.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3923 11.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2728 11.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4073 11.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2128 9.7791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2809 10.0456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3433 9.7999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8586 10.6393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7905 10.3730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3571 10.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3951 9.6253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6372 9.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3376 10.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7282 10.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8626 10.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2639 9.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5877 9.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8418 9.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6745 10.0835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7427 10.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8051 10.1043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3204 10.9437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2523 10.6774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8189 10.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8569 9.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0990 10.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3095 11.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1900 10.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3244 11.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1299 9.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1980 9.6929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2604 9.4473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7758 10.2866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7077 10.0204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2743 10.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3123 9.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7649 10.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6454 10.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7798 10.6100 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 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 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 84 88 1 0 0 0 0 M END > LMSP0505BJ01 > > Galbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C66H120N2O28 > 1388.80 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261252 > - > - > Active (generated by computational methods) > - $$$$