Accord 08271317192D 125131 0 0 0 0 0 0 0 0999 V2000 22.3933 7.8037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6473 8.2331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9011 7.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8245 7.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9620 7.0577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1395 8.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1805 6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1805 5.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4346 7.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0534 8.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2315 8.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6831 6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9311 7.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1792 6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4273 7.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6754 6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1489 8.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3969 7.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6450 8.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8931 7.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1410 8.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3893 7.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6372 8.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8853 7.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6754 5.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8853 7.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0614 6.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 7.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4136 6.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5896 7.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7658 6.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8587 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0420 5.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2253 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4086 5.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5919 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7752 5.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9585 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1418 5.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3251 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5084 5.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 5.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1447 10.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4624 10.2729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5036 10.5471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5389 10.2943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0403 11.1579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9991 10.8840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5532 11.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6212 10.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8125 10.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5042 10.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9639 11.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0733 11.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8220 10.5861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8632 10.8603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8985 10.6075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3998 11.4712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3586 11.1972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9127 11.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9807 10.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1720 10.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3886 12.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3234 11.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4328 11.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1749 9.9101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2161 10.1842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2514 9.9315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7527 10.7951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7115 10.5212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2657 10.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3336 9.7518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5250 10.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2167 10.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6763 10.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7857 11.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1987 9.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5318 9.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7643 9.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5344 10.2233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5756 10.4974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6109 10.2447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1123 11.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0711 10.8344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6252 11.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6932 10.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8845 10.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1010 11.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0359 11.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1453 11.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0448 10.5443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2594 9.9298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8968 9.0008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9051 9.1049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6903 9.7197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2200 9.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6784 9.7707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3123 8.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.3459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 10.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 10.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7693 9.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1582 9.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 9.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1684 10.0650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1774 9.1991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3446 8.9615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5685 8.2260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7400 9.1987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3369 8.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6343 9.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1906 8.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8597 7.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5727 9.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6853 10.0212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6943 9.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8615 8.9178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0853 8.1822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2569 9.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8538 8.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1512 9.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7075 8.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3766 7.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0896 9.3926 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 116117 1 1 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 120125 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 116125 1 0 0 0 0 74116 1 0 0 0 0 M END > LMISSP0505BM03 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C84H151N3O36 > 1778.01 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261278 > - > - > Active (generated by computational methods) > - $$$$