Accord 08271317182D 112117 0 0 0 0 0 0 0 0999 V2000 24.2858 7.1836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5765 7.5921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8669 7.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6957 6.4743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8757 6.4743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1327 6.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1327 5.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4235 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9626 8.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 8.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7089 6.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9940 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2790 6.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5641 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8491 6.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1342 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4192 6.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7043 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9894 6.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2744 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5596 6.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8446 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1296 6.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4146 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1517 7.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4368 7.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7218 7.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0069 7.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2919 7.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5770 7.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8620 7.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1471 7.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4322 7.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7173 7.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0024 7.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2873 7.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5725 7.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8575 7.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3513 9.5310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4397 9.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5224 9.5514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0484 10.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9600 10.1120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5360 10.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5515 9.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8318 9.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5387 10.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8773 10.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0305 10.6888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8900 9.8288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9783 10.0895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0611 9.8492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5870 10.6703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4986 10.4098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0747 10.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0901 9.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3704 10.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5763 11.2044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4159 10.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5692 10.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9276 10.9549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0160 11.2156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0987 10.9753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6246 11.7964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5362 11.5359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1123 11.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1277 10.8044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4080 11.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6139 12.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4536 11.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6068 12.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9994 10.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3162 10.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5864 10.6043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4600 10.3121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5483 10.5728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6311 10.3325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1570 11.1536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0686 10.8931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6447 11.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6601 10.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9404 10.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 11.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9860 11.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1392 11.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9923 9.6693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0807 9.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1635 9.6897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6893 10.5108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6010 10.2503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1770 10.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1925 9.5188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4728 9.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6943 11.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5183 10.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6715 10.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0641 9.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3809 9.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6512 9.3187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0457 10.9620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1340 11.2227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2168 10.9823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7426 11.8035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6543 11.5430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2304 11.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 10.8115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5261 11.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 12.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5716 11.7832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7248 12.1198 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 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 60 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 M END > LMSP0503AD01 > > Galbeta1-4GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C74H133N3O33 > 1591.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260508 > - > - > Active (generated by computational methods) > - $$$$