Accord 08271317192D 115120 0 0 0 0 0 0 0 0999 V2000 22.5764 7.7838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8362 8.2098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0959 7.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0043 7.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1485 7.0435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3168 8.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3731 6.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3731 5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6330 7.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2392 8.9078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4236 8.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8873 6.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1413 7.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3952 6.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6491 7.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9031 6.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3495 8.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6034 7.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8574 8.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1113 7.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3651 8.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6193 7.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8731 8.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1270 7.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9031 5.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1270 7.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3095 6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4921 7.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6746 6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8571 7.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0397 6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0928 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2825 5.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4722 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6618 5.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8515 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0412 5.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2309 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4205 5.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6102 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7999 5.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9895 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 5.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3219 10.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6450 10.2337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6937 10.5057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7365 10.2549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2417 11.1118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1931 10.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7507 11.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8103 10.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0157 10.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7099 10.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1503 11.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2667 11.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0330 10.5445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0816 10.8165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1245 10.5657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6297 11.4226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5810 11.1508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1386 11.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1983 10.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4037 10.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6185 11.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5383 11.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6546 11.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4143 9.8737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4630 10.1457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5058 9.8949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0111 10.7518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9624 10.4800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5200 10.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5796 9.7166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7851 10.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4792 10.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9197 10.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0360 11.0819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4457 9.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7763 9.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0148 9.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8023 10.1844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8509 10.4565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8938 10.2057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3990 11.0626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3503 10.7908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9079 11.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9676 10.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 10.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3879 11.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3076 11.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4240 11.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1837 9.5137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2323 9.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2752 9.5349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7804 10.3918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7317 10.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2893 10.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3490 9.3566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7692 10.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6890 10.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8054 10.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 9.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5456 8.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7841 9.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4469 10.0274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4558 9.1682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6296 8.9326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8594 8.2027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0296 9.1679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6297 8.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9092 9.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4767 8.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1484 7.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8559 9.4037 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 88 92 1 0 0 0 0 106107 1 1 0 0 0 107108 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 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 106115 1 0 0 0 0 87106 1 0 0 0 0 M END > LMISSP0505AF03 > > GalNAcbeta1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O32 > 1631.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261014 > - > - > Active (generated by computational methods) > - $$$$