Accord 08271317182D 95 98 0 0 0 0 0 0 0 0999 V2000 23.1896 7.2626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4561 7.6850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7225 7.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6135 6.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7655 6.5293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9233 7.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9972 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9972 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2639 6.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8555 8.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0474 8.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5249 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7856 6.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0464 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3071 6.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5678 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8285 6.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0893 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3500 6.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6107 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8714 6.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1321 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3929 6.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6535 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9143 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 6.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6964 6.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9572 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2179 6.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4787 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7393 6.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9829 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2436 7.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5043 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7651 7.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0257 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2865 7.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5472 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8080 7.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0686 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3294 7.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5901 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8507 7.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1115 7.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3722 7.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9286 9.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2575 9.6913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3144 9.9610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3655 9.7124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8749 10.5619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8181 10.2924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3795 10.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4300 9.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6509 9.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3477 10.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7671 10.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8911 10.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6766 9.9994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7335 10.2691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7846 10.0205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2940 10.8699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2372 10.6005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7986 10.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8491 9.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0700 10.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2830 11.4225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1862 10.8490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3102 11.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7668 12.1452 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8236 12.4149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8747 12.1663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3842 13.0158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3274 12.7463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8888 12.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9393 11.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1602 12.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3732 13.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2764 12.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4003 13.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1794 11.4802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2362 11.7499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2873 11.5013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7968 12.3508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7399 12.0813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3014 12.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3519 11.3245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5728 11.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7858 12.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6890 12.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8129 12.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2191 11.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5468 10.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7919 11.1175 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 2 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 3 34 2 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 68 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 M END > LMISSP0502AB07 > > GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C68H124N2O23 > 1336.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260178 > - > - > Active (generated by computational methods) > - $$$$