Accord 08271317182D 136143 0 0 0 0 0 0 0 0999 V2000 24.3796 8.8229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7639 9.1774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1480 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7355 8.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0237 8.2072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9956 9.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3787 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3787 7.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7631 8.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0992 9.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4208 9.7715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1428 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5220 8.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9014 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2809 8.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6603 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0396 8.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4190 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7983 8.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1778 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5571 8.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9364 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3159 8.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6952 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0746 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4540 8.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8334 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2128 8.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5922 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5272 9.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9065 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2858 9.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6653 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0446 9.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4240 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8034 9.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1828 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5622 9.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9416 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3209 9.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7003 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0797 9.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4591 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4367 10.8618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6449 11.0881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8483 10.8794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4365 11.5925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2283 11.3663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8601 11.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7420 10.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2485 11.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9939 11.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0250 11.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2896 11.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4305 11.1204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6388 11.3467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8422 11.1380 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4304 11.8511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2221 11.6249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8539 11.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7359 10.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2423 11.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4211 12.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0188 11.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2834 12.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9878 12.9218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.1960 13.1482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3995 12.9395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9877 13.6526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7794 13.4263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4112 13.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2931 12.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7996 13.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9784 14.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5761 13.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8407 13.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1062 13.1869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4576 12.6794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1583 11.9123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3393 11.9982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9877 12.5058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5993 12.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8036 12.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6756 11.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9586 12.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2872 13.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6184 12.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9822 11.6081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3337 11.1007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0342 10.3335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2153 10.4195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8637 10.9272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4754 10.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6796 10.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5516 9.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8345 10.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1632 11.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4944 11.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8583 10.0294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2096 9.5219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9103 8.7548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0913 8.8408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7397 9.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3513 9.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5556 9.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4276 8.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7106 9.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0393 10.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3704 9.6924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7342 8.4507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0857 7.9432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7863 7.1761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9674 7.2621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6157 7.7697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2274 7.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4317 7.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3036 6.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5866 7.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9152 8.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2464 8.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6103 6.8719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9617 6.3645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6623 5.5973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8433 5.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4918 6.1910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1034 6.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3076 6.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1796 5.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 5.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 6.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1225 6.5349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5922 7.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0470 6.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0470 6.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4869 5.9956 0.0000 C 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 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 29133 1 0 0 0 0 133134 1 0 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 M END > LMISSP0502AY07 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C90H161NO43 > 1944.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260362 > - > - > Active (generated by computational methods) > - $$$$