Accord 08271317182D 132139 0 0 0 0 0 0 0 0999 V2000 24.3797 8.8234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7639 9.1779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1480 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7356 8.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0237 8.2076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 9.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3787 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3787 7.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7629 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0991 9.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4207 9.7722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1426 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5219 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9013 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2806 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6599 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0393 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4187 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7980 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1773 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5566 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9360 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3153 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6946 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4533 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8326 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2120 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5914 8.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5270 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9064 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2858 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6651 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0444 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4238 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8031 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1824 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5617 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9411 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3204 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6997 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0791 9.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4585 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.0786 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 11.0883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8485 10.8796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4367 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 21.9941 11.3372 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 11.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4308 11.1206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6392 11.3469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8426 11.1382 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 11.6251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8544 11.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7362 10.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2428 11.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4216 12.3151 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 20.2838 12.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9883 12.9218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.1966 13.1482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4001 12.9395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9883 13.6525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7800 13.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4119 13.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2937 12.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8003 13.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9791 14.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5766 13.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8413 13.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1070 13.1869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4585 12.6795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1591 11.9124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3402 11.9984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9886 12.5060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6002 12.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8044 12.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6765 11.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9595 12.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2881 13.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6193 12.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9832 11.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3347 11.1009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0353 10.3338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2165 10.4198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8648 10.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4764 10.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6806 10.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5527 9.9431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8357 10.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1643 11.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4955 11.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8594 10.0297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2109 9.5223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9116 8.7552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0927 8.8412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7410 9.3488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3527 9.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5569 9.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4289 8.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7120 9.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0405 10.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3717 9.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7356 8.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0871 7.9437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7878 7.1767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9689 7.2626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6172 7.7702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2289 7.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4331 7.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3051 6.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5882 7.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 8.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2479 8.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6118 6.8726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9633 6.3651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6640 5.5981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8451 5.6841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4934 6.1916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1051 6.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3093 6.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 5.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4644 5.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7929 6.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1242 6.5356 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 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 74 78 1 0 0 0 0 89 90 1 1 0 0 0 91 90 1 1 0 0 0 92 91 1 1 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 98 1 0 0 0 0 89 98 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 94 99 1 0 0 0 0 85 89 1 0 0 0 0 100101 1 1 0 0 0 102101 1 1 0 0 0 103102 1 1 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 104109 1 0 0 0 0 100109 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 105110 1 0 0 0 0 96100 1 0 0 0 0 111112 1 1 0 0 0 113112 1 1 0 0 0 114113 1 1 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 115120 1 0 0 0 0 111120 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 116121 1 0 0 0 0 107111 1 0 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 125124 1 1 0 0 0 125126 1 0 0 0 0 126127 1 0 0 0 0 126131 1 0 0 0 0 122131 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 127132 1 0 0 0 0 118122 1 0 0 0 0 M END > LMSP0502AY03 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C86H155NO43 > 1890.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260358 > - > - > Active (generated by computational methods) > - $$$$