Accord 08271317182D 119124 0 0 0 0 0 0 0 0999 V2000 24.2929 8.8145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5916 9.2183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8900 8.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6985 8.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8875 8.1131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9947 9.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1527 7.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1527 6.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4514 8.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9734 9.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2006 9.8952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7448 7.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0377 8.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3308 7.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6238 8.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9168 7.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2098 8.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5028 7.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7958 8.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0888 7.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3818 8.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6748 7.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6839 6.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3917 6.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4008 5.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6958 5.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9868 5.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2819 5.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5728 5.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8679 5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1588 5.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4540 5.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7449 5.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1827 9.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4757 8.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7687 9.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0617 8.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3547 9.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6478 8.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9407 9.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2338 8.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5268 9.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8198 8.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1128 9.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4057 8.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6988 9.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9918 8.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3580 11.1380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4558 11.3959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5480 11.1581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0788 11.9708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9810 11.7130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5615 11.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5664 10.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8645 11.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5744 11.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8889 11.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0509 12.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9324 11.4327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0302 11.6907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1225 11.4528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6532 12.2655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5554 12.0077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1359 12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1408 11.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4389 11.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6427 12.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4633 12.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6253 12.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5006 10.7965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5984 11.0545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6906 10.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2214 11.6293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1236 11.3715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7041 11.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7090 10.6476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0071 10.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7170 11.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0315 11.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1935 11.9424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5820 10.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8955 10.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1733 10.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0688 10.1604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1666 10.4184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2588 10.1805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7896 10.9932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6918 10.7354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2723 10.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2772 10.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5753 10.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7790 11.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5997 10.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7617 11.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6370 9.5242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7348 9.7822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8270 9.5444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3578 10.3570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2600 10.0993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8405 10.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8454 9.3753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1435 9.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8534 10.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1679 10.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3298 10.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7184 9.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0319 8.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3097 9.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3596 10.5597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9521 9.8540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1638 10.0605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1829 9.8365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7877 10.5423 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2642 10.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5456 10.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7516 9.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1829 9.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 10.3359 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 111112 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 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 110119 1 0 0 0 0 104110 1 0 0 0 0 M END > LMSP0504AK07 > > Fucalpha1-4GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O32 > 1686.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260698 > - > - > Active (generated by computational methods) > - $$$$