Accord 08271317182D 122127 0 0 0 0 0 0 0 0999 V2000 24.2672 8.9591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5404 9.3775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8133 8.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6875 8.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8471 8.2322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9945 9.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0855 7.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0855 6.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3587 8.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9361 10.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1352 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6265 7.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8937 8.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1610 7.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4284 8.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6957 7.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9629 8.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2303 7.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4976 8.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7648 7.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0322 8.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2995 7.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3089 6.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0424 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0518 5.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3212 5.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5865 5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8559 5.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1211 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3906 5.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6557 5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9252 5.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1903 5.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4598 5.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 5.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0803 9.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3476 8.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6149 9.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8822 8.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1494 9.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4169 8.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6841 9.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9515 8.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2188 9.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4861 8.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7534 9.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0206 8.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2880 9.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5553 8.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3347 11.3670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3997 11.6344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4589 11.3879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9726 12.2301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9076 11.9630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4728 12.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5143 11.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7505 11.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4499 11.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8485 12.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9800 12.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7846 11.6725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8496 11.9398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9088 11.6933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4225 12.5355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3575 12.2684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9227 12.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9642 11.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2004 11.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4116 13.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2984 12.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4299 12.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7462 12.8275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8112 13.0948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8705 12.8483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3842 13.6905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3192 13.4234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8844 13.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9259 12.6731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1621 13.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3732 14.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2601 13.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3916 14.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7942 12.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1191 12.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3707 12.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1897 12.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2547 12.4355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3139 12.1891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8276 13.0312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7626 12.7641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3278 13.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3693 12.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6055 12.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8167 13.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7035 13.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8350 13.3557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7867 12.4813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0207 11.8820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6672 10.9760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7000 11.0776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4658 11.6771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0071 11.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4293 11.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0972 10.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2504 11.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8195 12.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0296 12.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1248 9.6445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1898 9.9118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2490 9.6654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7627 10.5076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6978 10.2404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2629 10.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3044 9.4901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5406 9.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7518 10.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6386 10.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7701 10.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 9.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4977 9.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7492 9.2849 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 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 70 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 80 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 94 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 115120 1 0 0 0 0 120121 1 0 0 0 0 120122 2 0 0 0 0 105109 1 0 0 0 0 M END > LMSP0503AM06 > > GalNAcbeta1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C84H153N3O33 > 1732.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260585 > - > - > Active (generated by computational methods) > - $$$$