Accord 08271317192D 109113 0 0 0 0 0 0 0 0999 V2000 23.5135 7.7668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7784 8.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0430 7.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9386 7.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0885 7.0315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2490 8.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3183 6.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3183 5.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5832 7.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1786 8.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3685 8.8995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8425 6.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1014 7.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3604 6.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6193 7.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8783 6.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3016 8.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5605 7.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8195 8.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0784 7.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3372 8.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5963 7.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8552 8.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1141 7.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8783 5.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1141 7.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3021 6.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4901 7.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6781 6.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8661 7.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0541 6.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0734 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2685 5.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4636 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6587 5.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8539 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0490 5.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2441 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4392 5.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6343 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8294 5.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0245 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2196 5.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4147 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6098 5.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2541 10.4589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5817 10.2003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6367 10.4705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6860 10.2214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1945 11.0725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1395 10.8025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7001 11.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7526 10.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9701 10.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6662 10.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0903 11.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2126 11.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9939 10.5090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0489 10.7792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0982 10.5301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6067 11.3812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5516 11.1112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1122 11.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1648 10.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3822 10.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5956 11.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5025 11.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6248 11.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5547 10.8254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7806 10.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4233 9.3041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4459 9.4068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2197 10.0126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7562 9.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1935 10.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8472 8.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9914 9.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5772 10.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7790 10.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8645 7.9585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9196 8.2286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9688 7.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4773 8.8307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4223 8.5607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9829 8.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0354 7.8025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2529 8.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9490 8.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3732 8.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4954 9.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9024 7.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2307 7.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4743 7.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9232 11.6762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2474 12.3898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3023 12.6593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3125 13.6422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9884 12.9287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7393 13.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1302 11.9640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7837 13.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5163 14.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9336 12.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3557 13.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9101 11.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0729 11.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5416 12.0711 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 67 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 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 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 68 96 1 0 0 0 0 M END > LMISSP0505DP05 > > GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C76H139N3O28 > 1541.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261680 > - > - > Active (generated by computational methods) > - $$$$