Accord 08271317182D 132138 0 0 0 0 0 0 0 0999 V2000 24.3035 8.7627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6126 9.1605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9214 8.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7030 8.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9041 8.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9947 9.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1802 7.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1802 6.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4893 8.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9887 9.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2274 9.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7932 7.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0967 8.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4003 7.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7038 8.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0074 7.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3108 8.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6144 7.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9180 8.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2214 7.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5250 8.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8285 7.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8375 6.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5347 6.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5437 5.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8492 5.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1508 5.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4563 5.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7578 5.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0634 5.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3648 5.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6705 5.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9719 5.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2776 5.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5791 5.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2246 9.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5282 8.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8317 9.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1352 8.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4387 9.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7423 8.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0458 9.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3494 8.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6529 9.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9565 8.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2600 9.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5634 8.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8671 9.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1705 8.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3676 11.0516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4788 11.3057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5845 11.0714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1223 11.8720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0111 11.6180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5978 11.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5878 10.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9112 11.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6254 11.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9054 11.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0799 12.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9930 11.3419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1042 11.5961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2100 11.3618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7477 12.1623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6365 11.9084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2232 12.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2132 11.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5366 11.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7373 12.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5308 12.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7053 12.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1049 12.4398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2161 12.6939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3218 12.4597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8596 13.2602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7484 13.0063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3351 13.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3250 12.2931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6485 12.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8492 13.6544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6427 13.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8172 13.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1999 12.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5087 11.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7973 12.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7241 11.8131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8354 12.0673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9411 11.8330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4789 12.6335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3677 12.3796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9543 12.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9443 11.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2677 12.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4685 13.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2620 12.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4364 12.9419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3434 11.1864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4546 11.4406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5604 11.2063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0981 12.0068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9869 11.7529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5736 11.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5636 11.0397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8870 11.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6013 11.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8813 11.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0557 12.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4385 10.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7473 10.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0359 10.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9688 11.4768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0800 11.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1858 11.4966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7235 12.2972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6123 12.0432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1990 12.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1890 11.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5124 11.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 12.8179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5067 12.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6811 12.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1086 11.2895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1170 10.4868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3451 10.2666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6256 9.5848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7846 10.4865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4109 10.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5405 10.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2022 9.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8956 9.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5565 10.7068 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 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 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 105123 1 0 0 0 0 M END > LMISSP0503AH08 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C90H161N3O37 > 1876.08 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260547 > - > - > Active (generated by computational methods) > - $$$$