Accord 08271317182D 120125 0 0 0 0 0 0 0 0999 V2000 24.2863 8.8491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5783 9.2567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8699 8.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6956 8.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8770 8.1410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9947 9.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1352 7.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1352 6.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4272 8.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9638 9.9245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1836 9.9401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7139 7.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0001 8.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2864 7.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5727 8.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8591 7.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1453 8.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4315 7.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7179 8.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0041 7.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2904 8.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5767 7.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5859 6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3003 6.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3094 5.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5979 5.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8822 5.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1705 5.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4547 5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7431 5.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0272 5.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3157 5.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 5.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1560 9.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4423 8.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7285 9.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0148 8.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3010 9.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5875 8.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8736 9.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1600 8.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4463 9.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7326 8.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0188 9.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3049 8.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5914 9.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8776 8.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3519 11.1947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4412 11.4551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5248 11.2151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0511 12.0354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9619 11.7752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5384 12.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5529 11.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8348 11.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5419 11.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8783 12.0152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0324 12.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8938 11.4922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9830 11.7527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0666 11.5126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5929 12.3329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5037 12.0727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0802 12.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0947 11.3419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3765 11.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5823 12.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4202 12.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5742 12.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9342 12.6173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0234 12.8777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1070 12.6376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6333 13.4580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5441 13.1978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1205 13.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1350 12.4670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4169 12.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6225 13.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4606 13.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6146 13.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0068 12.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3232 12.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5942 12.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4697 11.9751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5589 12.2355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6425 11.9954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1688 12.8158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0796 12.5556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6561 12.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6706 11.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9525 12.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1582 13.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9961 12.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1501 13.1319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0053 11.3329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0945 11.5933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1781 11.3532 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7044 12.1736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6152 11.9134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1916 12.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2061 11.1825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4880 11.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6918 12.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5317 12.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6857 12.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0779 10.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3944 10.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6653 10.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0437 12.4868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1329 12.7472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2165 12.5071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7428 13.3275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6536 13.0673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2301 13.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2446 12.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5265 12.6921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7322 13.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5701 13.3073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7241 13.6436 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 68 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 78 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 M END > LMSP0503AD07 > > Galbeta1-4GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O33 > 1701.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260514 > - > - > Active (generated by computational methods) > - $$$$