Accord 08271317182D 121126 0 0 0 0 0 0 0 0999 V2000 24.2929 8.8217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5916 9.2255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8900 8.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6985 8.1203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8875 8.1203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9947 9.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1527 7.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1527 6.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4513 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9734 9.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2006 9.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7448 7.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0377 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3307 7.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6238 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9168 7.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2097 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5028 7.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7958 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0887 7.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3818 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6748 7.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6839 6.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3916 6.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4007 5.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6957 5.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9868 5.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2818 5.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5728 5.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8679 5.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1587 5.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4539 5.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7448 5.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0399 5.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 5.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1827 9.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4757 8.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7687 9.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0617 8.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3546 9.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6478 8.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9407 9.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2337 8.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5268 9.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8198 8.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1127 9.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4057 8.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6988 9.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9917 8.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3580 11.1452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4558 11.4032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5480 11.1653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0788 11.9780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9810 11.7202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5615 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5664 10.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8645 11.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5744 11.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8889 11.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0509 12.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9324 11.4399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0302 11.6979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1224 11.4601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6532 12.2727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5554 12.0149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1359 12.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1408 11.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4389 11.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6426 12.8013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4633 12.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6252 12.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5006 10.8038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5984 11.0617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6906 10.8239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2214 11.6366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1236 11.3788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7040 11.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7090 10.6548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0070 11.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7170 11.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0315 11.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1934 11.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5820 10.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8955 10.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1733 10.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0688 10.1676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1665 10.4256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2588 10.1878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7895 11.0004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6918 10.7426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2722 10.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2772 10.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5752 10.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7790 11.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5996 10.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7616 11.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 9.5315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7347 9.7894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8270 9.5516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3577 10.3643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2599 10.1065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8404 10.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8453 9.3825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1434 9.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8533 10.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1678 10.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3298 10.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7183 9.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0318 8.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3096 9.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3595 10.5669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9520 9.8612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1637 10.0678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1828 9.8438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7876 10.5495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2641 10.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5456 10.0203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7515 9.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1828 9.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5760 10.3431 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 2 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 112121 1 0 0 0 0 106112 1 0 0 0 0 M END > LMISSP0504AK08 > > Fucalpha1-4GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C84H151N3O32 > 1714.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260699 > - > - > Active (generated by computational methods) > - $$$$