Accord 08271317182D 116121 0 0 0 0 0 0 0 0999 V2000 21.9923 7.2921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2481 7.7205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5038 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4224 6.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5621 6.5480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7367 7.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7826 6.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7826 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0385 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6532 8.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8334 8.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2888 6.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5387 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7887 6.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0386 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2885 6.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5384 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7885 6.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0384 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2883 6.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5382 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7882 6.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0381 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2880 6.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5379 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7879 6.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0378 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2877 6.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5377 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7534 7.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0034 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2533 7.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5032 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7531 7.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0031 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2530 7.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5030 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7529 7.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2528 7.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5027 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7527 7.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7419 10.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0612 9.7557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1044 10.0293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1419 9.7771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6443 10.6388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6010 10.3655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1561 10.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2218 9.5978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4170 9.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1094 10.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5637 10.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6750 10.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4286 10.0682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4719 10.3418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5093 10.0896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0117 10.9513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9685 10.6780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5236 10.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5892 9.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7845 10.2839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0005 11.5119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9312 10.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0425 11.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4769 12.2450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5201 12.5186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5575 12.2664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0599 13.1281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0167 12.8547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5718 13.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6374 12.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8327 12.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0487 13.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9794 13.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0907 13.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8377 11.5704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8810 11.8440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9184 11.5918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4208 12.4535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3775 12.1802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9326 12.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9983 11.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1935 11.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4096 12.8779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3402 12.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4516 12.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8636 11.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1960 10.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4302 11.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1986 10.8958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2418 11.1694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2793 10.9172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7817 11.7789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7384 11.5056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2935 11.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3591 10.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7705 12.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7011 11.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8124 12.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7708 13.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0866 14.1364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1297 14.4093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1400 15.4044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8244 14.6820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5722 15.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9679 13.7053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6046 14.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5224 15.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7813 14.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1963 15.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7451 13.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9099 13.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3720 13.8137 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 16 17 1 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 24 25 1 0 0 0 0 25 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 3 30 2 0 0 0 0 30 31 1 0 0 0 0 31 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 64 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 74 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 85 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 88103 1 0 0 0 0 M END > LMISSP0502AF03 > > Galbeta1-3(GlcNAcbeta1-6)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O33 > 1647.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260206 > - > - > Active (generated by computational methods) > - $$$$