Accord 08271317182D 88 91 0 0 0 0 0 0 0 0999 V2000 20.0227 7.2350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2994 7.6514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5758 7.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4408 6.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6046 6.5116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7463 7.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8468 6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8468 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1235 6.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6931 8.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8962 8.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3948 6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6656 6.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9366 6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2075 6.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4783 6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7492 6.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0202 6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2910 6.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5619 6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8328 6.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1037 6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3746 6.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6455 6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9163 6.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1873 6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4582 6.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8464 7.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1173 7.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3882 7.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6591 7.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9299 7.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2009 7.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4718 7.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7426 7.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0135 7.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2845 7.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5553 7.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8262 7.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0972 7.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3680 7.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7514 9.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0897 9.6297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1597 9.8957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2240 9.6505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7403 10.4882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6703 10.2224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2378 10.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2737 9.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5194 9.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2204 10.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6061 10.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7423 10.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5586 9.9335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6286 10.1994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6929 9.9543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2093 10.7920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1393 10.5262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7068 10.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7427 9.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9883 10.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1984 11.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0751 10.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2112 11.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6893 12.0495 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7593 12.3154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8236 12.0702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3400 12.9079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2700 12.6422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8375 12.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8734 11.8959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1190 12.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3291 13.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2058 12.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3419 13.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3046 12.3609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5428 11.7648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1911 10.8637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2292 10.9647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9908 11.5610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5346 11.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9492 11.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6242 10.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7819 11.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3426 12.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 11.9651 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 64 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 74 78 1 0 0 0 0 M END > LMSP0502AL03 > > Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C62H115NO23 > 1241.79 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260254 > - > - > Active (generated by computational methods) > - $$$$