Accord 08271317182D 134141 0 0 0 0 0 0 0 0999 V2000 24.3797 8.8233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7640 9.1779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1482 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7355 8.2078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0237 8.2078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9956 9.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3788 7.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3788 7.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7632 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0992 9.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4209 9.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1430 7.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5224 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9019 7.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2813 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6608 7.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0402 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4197 7.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7991 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1786 7.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5580 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9374 7.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3169 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6963 7.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0758 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4552 7.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8347 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2141 7.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5936 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9730 7.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3525 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5274 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9068 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2862 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6657 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0451 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4246 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8040 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1835 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5629 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9424 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3218 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7012 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0807 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4601 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4367 10.8620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6450 11.0884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8485 10.8797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4368 11.5927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2284 11.3665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8603 11.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7421 10.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2487 11.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9942 11.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0250 11.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2897 11.8675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4309 11.1206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6392 11.3470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8427 11.1383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4309 11.8513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2226 11.6252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8545 11.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7363 10.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2429 11.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4217 12.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0192 11.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2839 12.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9884 12.9218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.1967 13.1482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4002 12.9395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9884 13.6525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7801 13.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4120 13.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2938 12.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8004 13.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9792 14.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5767 13.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8414 13.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1071 13.1869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4586 12.6795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1592 11.9124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3404 11.9984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9887 12.5060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6003 12.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8045 12.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6766 11.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9596 12.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2882 13.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6194 12.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9833 11.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3348 11.1009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0355 10.3339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2166 10.4198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8649 10.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4766 10.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6808 10.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5528 9.9431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8359 10.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1644 11.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4956 11.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8595 10.0298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2110 9.5224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9117 8.7553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0928 8.8413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7411 9.3489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3528 9.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5570 9.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4291 8.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7121 9.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0407 10.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3719 9.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7358 8.4512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0873 7.9438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7879 7.1767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9691 7.2627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6174 7.7703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2290 7.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4332 7.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3053 6.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5883 7.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9169 8.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2481 8.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6120 6.8726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9635 6.3652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6642 5.5982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8453 5.6841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4936 6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1053 6.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3095 6.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 5.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 5.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7931 6.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1243 6.5357 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 3 32 2 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 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 76 80 1 0 0 0 0 91 92 1 1 0 0 0 93 92 1 1 0 0 0 94 93 1 1 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 95100 1 0 0 0 0 91100 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 96101 1 0 0 0 0 87 91 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 98102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 109113 1 0 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 127126 1 1 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 128133 1 0 0 0 0 124133 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 129134 1 0 0 0 0 120124 1 0 0 0 0 M END > LMSP0502AY04 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C88H159NO43 > 1918.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260359 > - > - > Active (generated by computational methods) > - $$$$