Accord 08271317182D 118123 0 0 0 0 0 0 0 0999 V2000 22.3021 9.0131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5659 9.4369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8294 9.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7278 8.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8765 8.2768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0387 9.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1052 7.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1052 6.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3690 8.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9667 10.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1555 10.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6274 7.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8852 8.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1431 7.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4010 8.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6589 7.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9167 8.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1746 7.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4326 8.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6904 7.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 8.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2062 7.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2157 6.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9587 6.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9682 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2282 5.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4840 5.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7440 5.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9998 5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2598 5.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5155 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7757 5.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0313 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2914 5.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5471 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0870 9.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3450 9.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6028 9.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8607 9.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1185 9.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3765 9.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6343 9.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8922 9.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1502 9.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4081 9.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6659 9.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9237 9.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1817 9.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4395 9.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0443 11.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3704 11.4520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4234 11.7227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4705 11.4731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9780 12.3261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9250 12.0555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4846 12.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5395 11.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7530 11.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4485 12.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8780 12.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9983 12.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7747 11.7613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8276 12.0321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8748 11.7825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3822 12.6355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3293 12.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8889 12.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9437 11.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1572 11.9748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3711 13.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2822 12.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4026 12.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1724 11.0936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2253 11.3644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2725 11.1147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7799 11.9677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7270 11.6971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2866 11.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3414 10.9372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5550 11.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2505 11.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6799 11.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8003 12.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2081 10.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5372 10.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7791 10.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5701 10.4258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6230 10.6966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6702 10.4470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1776 11.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1247 11.0294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6843 11.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7391 10.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9527 10.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1665 11.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0776 11.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 11.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1233 10.7429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3475 10.1359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9894 9.2183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0098 9.3212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7854 9.9284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3208 9.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7614 9.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4121 8.7509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1437 10.8460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 10.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2208 10.2695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2297 9.4142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4072 9.1796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6405 8.4530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8099 9.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4118 9.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 9.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2550 8.5868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 7.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6324 9.6486 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 2 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 69 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 110111 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 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 109118 1 0 0 0 0 93109 1 0 0 0 0 M END > LMISSP0504AE08 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C82H148N2O32 > 1673.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260651 > - > - > Active (generated by computational methods) > - $$$$