Accord 08271317182D 140147 0 0 0 0 0 0 0 0999 V2000 24.3402 8.5578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6857 8.9346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0310 8.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7186 7.9032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9618 7.9032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2761 7.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2761 6.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6216 7.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0420 9.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3208 9.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9623 7.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3025 7.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6427 7.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9830 7.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3233 7.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6635 7.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0038 7.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3440 7.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6842 7.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0245 7.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3648 7.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3732 6.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0337 6.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0422 5.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3843 5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7227 5.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0648 5.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4032 5.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7454 5.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0836 5.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4259 5.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7642 5.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3710 8.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7112 8.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0514 8.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 8.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7319 8.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0722 8.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4124 8.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7527 8.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0930 8.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4332 8.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7734 8.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1136 8.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4540 8.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7941 8.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4009 10.7260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5590 10.9668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7119 10.7448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2740 11.5032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1159 11.2626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7244 11.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6622 10.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0740 10.9158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 11.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9631 11.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 11.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2042 11.0010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3623 11.2418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5152 11.0198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0773 11.7782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9192 11.5376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5277 11.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4655 10.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8773 11.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0674 12.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7664 11.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9844 12.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0017 10.4074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1598 10.6481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3127 10.4262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8748 11.1845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7167 10.9440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3252 11.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2630 10.2684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6748 10.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4041 10.9128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5639 11.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7819 11.4767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1445 10.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4370 9.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7631 10.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7992 9.8138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9573 10.0545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1102 9.8326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6723 10.5909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5142 10.3503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1227 10.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0605 9.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4723 10.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6624 11.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3614 10.5722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5794 10.8831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5967 9.2201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7548 9.4608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9077 9.2389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4698 9.9973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3117 9.7567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9202 9.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 9.0811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 9.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9991 9.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1589 9.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3769 10.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7395 8.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 8.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3581 8.8963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 9.4951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5581 9.7359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7110 9.5139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2731 10.2723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1150 10.0317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7235 10.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6613 9.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0731 9.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 10.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 10.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1802 10.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2005 9.3561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8202 8.6976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0846 8.8903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1692 8.6813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7337 9.3399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2451 9.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3741 8.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6999 8.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1692 8.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4693 9.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9433 11.3737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2807 11.0004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7457 11.5408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8514 11.8268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6725 12.1064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1853 12.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8331 10.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2188 11.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5956 11.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2076 11.5661 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 104110 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 116121 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 > LMISSP0504AT07 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-3(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] > - > > - > - > - > - > - > - > - > - > - > 44260770 > - > - > Active (generated by computational methods) > - $$$$