Accord 08271317182D 115120 0 0 0 0 0 0 0 0999 V2000 22.9305 7.2854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1888 7.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4469 7.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3592 6.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5018 6.5437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6725 7.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7248 6.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7248 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9831 6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5926 8.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7754 8.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2358 6.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4882 6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7406 6.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9930 6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2453 6.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4977 6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7501 6.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0025 6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2548 6.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5072 6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7596 6.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0120 6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2643 6.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7691 6.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0215 6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2738 6.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5263 6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6989 7.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9514 7.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2037 7.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4561 7.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7084 7.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9609 7.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2132 7.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4656 7.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7179 7.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9703 7.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2227 7.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4750 7.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7275 7.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9798 7.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6777 10.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9992 9.7410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0456 10.0137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0861 9.7623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5901 10.6213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5438 10.3488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1003 10.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1625 9.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3636 9.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0570 10.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5033 10.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6176 10.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3785 10.0525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4248 10.3252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4654 10.0738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9694 10.9328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9230 10.6603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4796 10.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5418 9.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7429 10.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9582 11.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8826 10.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9968 11.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7512 9.3802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7975 9.6528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8381 9.4015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3421 10.2604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2957 9.9879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8523 10.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9145 9.2227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1156 9.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8090 9.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2553 10.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3695 10.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7802 9.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1116 8.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3482 9.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1239 8.7078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1703 8.9804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2108 8.7291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7148 9.5880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6684 9.3155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2250 9.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2872 8.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4883 8.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7037 10.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6280 9.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7422 9.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4966 8.0354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5430 8.3081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5835 8.0567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0875 8.9156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0411 8.6432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5977 8.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6599 7.8780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 8.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0007 8.8944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1150 9.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5256 7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8570 7.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0937 7.6687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2870 10.4746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5366 10.0518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9306 10.6639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9177 10.9878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8477 11.3045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2959 11.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1623 9.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3338 10.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6280 10.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4538 10.6926 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 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 74 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 75106 1 0 0 0 0 M END > LMISSP0504AR03 > > GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O32 > 1631.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260750 > - > - > Active (generated by computational methods) > - $$$$