Accord 08271317192D 122127 0 0 0 0 0 0 0 0999 V2000 24.2911 7.6485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5873 8.0536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8834 7.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6980 6.9447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8842 6.9447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1470 6.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1470 5.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4432 6.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9704 8.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1950 8.7328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7342 6.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0248 6.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3154 6.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6059 6.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8966 6.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1736 8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4642 7.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7548 8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0454 7.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3359 8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6267 7.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9172 8.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2078 7.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8966 5.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2078 6.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4304 6.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6532 6.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8758 6.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0985 6.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3213 6.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1261 5.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3556 5.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5851 5.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8146 5.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0441 5.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2736 5.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5031 5.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7326 5.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9620 5.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1915 5.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4210 5.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6505 5.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8800 5.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1095 5.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 5.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5685 5.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 5.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0275 5.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3563 9.9781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4518 10.2367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5416 9.9983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0712 10.8130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9757 10.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5551 10.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5627 9.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8563 10.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5654 10.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8860 10.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0458 11.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9218 10.2736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0172 10.5322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1071 10.2938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6366 11.1085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5412 10.8501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1205 11.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1281 10.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4217 10.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6260 11.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4514 11.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6112 11.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4810 9.6357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5764 9.8944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6663 9.6559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1958 10.4707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1004 10.2123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6797 10.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6873 9.4864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9809 9.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6901 10.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0106 10.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1704 10.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5599 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8743 9.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1502 9.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0464 9.9312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1418 10.1899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2317 9.9514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7612 10.7662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6658 10.5078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2452 10.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2527 9.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5463 10.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7506 11.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5760 10.7461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7358 11.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7541 10.2341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0131 9.6544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6711 8.7779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7354 8.8761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4762 9.4561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0325 9.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4085 9.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1196 8.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6743 8.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8185 10.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0543 9.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4942 9.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8611 9.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2534 8.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0307 8.0479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1261 8.3065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2160 8.0681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7455 8.8829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6501 8.6244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2294 8.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2370 7.8986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5306 8.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7349 9.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5603 8.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7201 9.1968 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 M END > LMISSP0505CF06 > > Galbeta1-4GlcNAcalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C84H153N3O33 > 1732.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261433 > - > - > Active (generated by computational methods) > - $$$$