Accord 08271317192D 113118 0 0 0 0 0 0 0 0999 V2000 24.2792 7.6960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5636 8.1079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8478 7.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6929 6.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8655 6.9803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1159 6.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1159 5.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4003 6.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9532 8.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1647 8.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6794 6.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9580 6.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2367 6.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5154 6.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7942 6.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1262 8.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4049 7.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6836 8.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9622 7.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2408 8.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5197 7.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7983 8.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0770 7.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7942 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0770 6.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2866 6.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4963 6.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7059 6.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9155 6.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1252 6.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0107 5.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2273 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4439 5.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6604 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8770 5.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0935 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3101 5.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5266 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7432 5.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9598 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1763 5.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3929 5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3455 10.0647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4258 10.3277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5004 10.0852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0220 10.9137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9418 10.6509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5140 10.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5385 9.9128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8035 10.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5078 10.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8673 10.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0130 11.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8533 10.3651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9336 10.6281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0081 10.3857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5298 11.2141 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4496 10.9513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0218 11.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0463 10.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3113 10.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5190 11.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3751 11.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5207 11.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5058 10.6731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7524 10.0836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4046 9.1924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4532 9.2923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2064 9.8820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7553 9.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1543 9.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8439 8.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0109 9.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5544 10.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7774 10.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8873 7.8826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9676 8.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0422 7.9031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5638 8.7316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4836 8.4688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0559 8.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0803 7.7308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3453 8.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5530 9.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4091 8.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5548 9.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9509 7.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2704 7.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5342 7.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3888 7.2341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4690 7.4971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5436 7.2546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0652 8.0831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9850 7.8203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5573 8.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5818 7.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8468 7.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0545 8.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9105 8.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0562 8.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 7.5421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2878 6.9526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9401 6.0614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9887 6.1613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7419 6.7510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2907 6.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 6.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3793 5.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5464 6.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0899 7.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3129 7.1506 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 63 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 99103 1 0 0 0 0 M END > LMSP0505DJ03 > > Galalpha1-3Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C76H138N2O33 > 1606.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261630 > - > - > Active (generated by computational methods) > - $$$$