Accord 08271317182D 129135 0 0 0 0 0 0 0 0999 V2000 24.2920 7.1651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5897 7.5694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8872 7.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6980 6.4628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8860 6.4628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9946 7.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1502 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1502 5.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4479 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9720 8.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1982 8.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7405 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0326 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3247 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6168 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9089 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2010 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4931 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7852 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0773 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3694 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6615 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9537 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2457 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5379 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8299 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1221 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7062 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9984 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5826 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1668 6.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4589 6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1790 7.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4711 7.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7631 7.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0553 7.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3474 7.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6395 7.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9316 7.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2238 7.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5158 7.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8080 7.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1000 7.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3921 7.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6843 7.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9763 7.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3571 9.4918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4537 9.7501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5447 9.5120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0748 10.3257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9783 10.0676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5581 10.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5644 9.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8602 9.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5697 10.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8874 10.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0482 10.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9268 9.7869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0234 10.0453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1144 9.8071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6445 10.6209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5479 10.3627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1278 10.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1341 9.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4299 9.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6339 11.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4570 10.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6179 10.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1394 11.8425 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.2359 12.1008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3269 11.8627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8570 12.6764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7605 12.4183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3404 12.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3467 11.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6424 12.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8464 13.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6696 12.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8304 12.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7028 11.2055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7994 11.4638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8904 11.2256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4205 12.0394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3240 11.7813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9038 12.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9101 11.0563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2059 11.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4099 12.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2331 12.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3939 12.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7830 10.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0969 10.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3737 10.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2663 10.5684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3628 10.8268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4538 10.5886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9839 11.4024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8874 11.1442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4673 11.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4736 10.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7693 10.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 11.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7965 11.3823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 11.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9781 10.8710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2380 10.2919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8964 9.4165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9619 9.5146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7018 10.0939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2586 9.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6329 10.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3456 8.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5274 9.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0436 10.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2804 10.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9791 10.4193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9876 9.6034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2029 9.3795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4715 8.6864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6331 9.6031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2534 9.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4181 10.0431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0577 8.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7460 8.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4178 9.8270 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 29 30 1 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 3 36 2 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 70 73 1 0 0 0 0 84 85 1 1 0 0 0 86 85 1 1 0 0 0 87 86 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 84 93 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 95 96 1 0 0 0 0 95 97 2 0 0 0 0 80 84 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 91 98 1 0 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 109118 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 114119 1 0 0 0 0 105109 1 0 0 0 0 120121 1 1 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 124129 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 120129 1 0 0 0 0 104120 1 0 0 0 0 M END > LMSP0502AK06 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C88H160N2O37 > 1837.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260249 > - > - > Active (generated by computational methods) > - $$$$