Accord 08271317192D 106110 0 0 0 0 0 0 0 0999 V2000 23.1507 7.7174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4299 8.1323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7090 7.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5674 6.9965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7340 6.9965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8718 8.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9789 6.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9789 5.7368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2582 6.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8223 8.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0281 8.8279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5320 6.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8055 6.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0789 6.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3524 6.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6259 6.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9821 8.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2556 7.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5290 8.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8025 7.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0758 8.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3495 7.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6228 8.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8963 7.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6259 5.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8963 7.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1002 6.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3041 7.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5080 6.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7119 7.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9159 6.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8368 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0477 5.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2586 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4694 5.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6803 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8912 5.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1021 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3130 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5238 5.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7347 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9456 5.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1565 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3674 5.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5782 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 5.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8767 10.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2175 10.1032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2911 10.3681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3590 10.1239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8771 10.9584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8036 10.6937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3728 10.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4047 9.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6571 10.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3592 10.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7358 10.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8753 11.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7000 10.4058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7736 10.6707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8414 10.4265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3596 11.2610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2861 10.9963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8552 11.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8871 10.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1395 10.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3488 11.8038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2183 11.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3578 11.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3282 10.7161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5693 10.1223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2190 9.2246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2607 9.3252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0194 9.9192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5650 9.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9742 9.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6542 8.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8152 9.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3699 10.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5873 10.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6908 7.9053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7643 8.1702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8322 7.9260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3504 8.7605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2768 8.4958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8460 8.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8779 7.7524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1303 8.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3395 9.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2090 8.7399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3485 9.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7475 7.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0694 7.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3278 7.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1669 7.2521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2404 7.5170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3083 7.2728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8265 8.1072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7529 7.8425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3221 8.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3540 7.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6064 7.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8156 8.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6851 8.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8246 8.4287 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 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 67 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 89 96 1 0 0 0 0 M END > LMISSP0505DB07 > > Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C74H134N2O28 > 1498.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261586 > - > - > Active (generated by computational methods) > - $$$$