Accord 08271317192D 126132 0 0 0 0 0 0 0 0999 V2000 23.4480 7.7579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7155 8.1795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9827 7.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8716 7.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0245 7.0252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1809 8.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2571 6.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2571 5.7448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5245 7.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1143 8.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3071 8.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7865 6.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0480 7.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3096 6.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5711 7.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8328 6.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2439 8.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5055 7.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7670 8.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0286 7.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2900 8.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5518 7.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8132 8.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0748 7.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8328 5.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0748 7.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2656 6.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4566 7.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6474 6.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8382 7.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0292 6.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0307 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2287 5.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4266 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6246 5.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8225 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0205 5.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2184 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4164 5.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6143 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8123 5.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0102 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2082 5.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4061 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6041 5.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1860 10.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5160 10.1828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5743 10.4520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6270 10.2038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1372 11.0519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0788 10.7829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6410 11.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6898 10.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9136 10.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6108 10.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0263 11.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1517 11.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9408 10.4903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9992 10.7596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0518 10.5114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5621 11.3595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5037 11.0905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0658 11.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1146 10.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3384 10.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5511 11.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4512 11.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5766 11.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3592 9.8264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4176 10.0957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4702 9.8474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9804 10.6956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9221 10.4265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4842 10.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5330 9.6710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7568 10.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4540 10.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8695 10.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9949 11.0223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4004 9.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7276 9.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9739 9.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7840 10.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8424 10.4032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8950 10.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4053 11.0032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3469 10.7341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9090 10.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9578 9.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1816 10.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3943 11.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2944 10.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4198 11.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3570 10.4493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5857 9.8458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2296 8.9335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2557 9.0357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0268 9.6394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5649 9.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9971 9.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6556 8.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8028 9.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3830 10.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 10.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4425 9.9786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4513 9.1282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6335 8.8949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8712 8.1725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0397 9.1279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6439 8.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9000 9.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4822 8.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1573 7.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8575 9.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9321 9.9356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9410 9.0852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1232 8.8519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3609 8.1296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5294 9.0849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1335 8.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3897 9.5435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9719 8.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6470 7.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3472 9.3182 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 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 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 92 96 1 0 0 0 0 107108 1 1 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 107116 1 0 0 0 0 91107 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 78117 1 0 0 0 0 M END > LMISSP0505CY05 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C86H156N2O36 > 1793.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261560 > - > - > Active (generated by computational methods) > - $$$$