Accord 08271317192D 140147 0 0 0 0 0 0 0 0999 V2000 24.3205 8.6652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6466 9.0532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9724 8.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7102 7.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9309 7.9912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 9.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2248 7.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2248 6.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5509 7.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0135 9.6888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2709 9.7037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8719 7.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1924 7.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5131 7.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8337 7.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1544 7.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4749 7.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7955 7.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1162 7.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4367 7.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7574 7.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0780 7.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0867 6.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7669 6.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7756 5.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0981 5.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4169 5.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7394 5.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0581 5.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3807 5.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6992 5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0220 5.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3405 5.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2927 9.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6134 8.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9339 9.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2545 8.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5751 9.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8958 8.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2164 9.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5370 8.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8577 9.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1783 8.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4988 9.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8194 8.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1401 9.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4607 8.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3831 10.8979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5161 11.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6438 10.9173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1929 11.6982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0599 11.4505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6567 11.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6224 10.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9869 11.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7082 11.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9323 11.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1270 11.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0913 11.1812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2243 11.4291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3520 11.2005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9010 11.9814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7680 11.7337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3649 11.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3306 11.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6951 11.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8909 12.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6404 11.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8351 12.2823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7935 10.5698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9265 10.8177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0542 10.5892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6032 11.3701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4702 11.1224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0671 11.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0328 10.4267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3973 10.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1185 11.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3426 11.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5373 11.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9107 10.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2119 10.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5180 10.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4956 9.9585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6287 10.2064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7563 9.9779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3054 10.7588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1724 10.5111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7693 10.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7350 9.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0995 10.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2953 11.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0448 10.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2395 11.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1978 9.3472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3308 9.5951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4585 9.3666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0076 10.1475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8746 9.8998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4714 10.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4371 9.2041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8017 9.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5229 9.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7470 10.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 10.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3151 9.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6163 8.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9224 9.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 8.7359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0330 8.9838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1607 8.7553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7098 9.5362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5768 9.2885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1736 9.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1393 8.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5039 8.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6997 10.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 9.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6439 9.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0484 10.3422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3661 9.9579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8151 10.5143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8942 10.8088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7398 11.0968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2381 11.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9350 9.7992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2725 10.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6309 10.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2908 10.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6440 11.5649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9617 11.1805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4107 11.7369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4898 12.0314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3354 12.3194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8337 12.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5306 11.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8681 11.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2265 11.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8864 11.7630 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 67 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 103110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 104121 1 0 0 0 0 131132 1 1 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 131140 1 0 0 0 0 79131 1 0 0 0 0 M END > LMISSP0504BT07 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C94H167N3O41 > 1994.11 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260962 > - > - > Active (generated by computational methods) > - $$$$