Accord 08271317182D 115120 0 0 0 0 0 0 0 0999 V2000 24.2930 7.1623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5913 7.5663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8894 7.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6987 6.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8874 6.4606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 7.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1523 6.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1523 5.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4505 6.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9733 8.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2002 8.2436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7436 6.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0362 6.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3289 6.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6216 6.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9142 6.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2068 6.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4996 6.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7922 6.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0848 6.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3775 6.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6702 6.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9628 6.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2554 6.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5481 6.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8408 6.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1334 6.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4261 6.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7188 6.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1817 7.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4744 7.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7671 7.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0597 7.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3523 7.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6451 7.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9377 7.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2303 7.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5229 7.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8157 7.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1083 7.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4009 7.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6937 7.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9863 7.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3580 9.4856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4558 9.7436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5480 9.5057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0788 10.3184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9810 10.0606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5614 10.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5664 9.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8645 9.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5744 10.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8889 10.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0508 10.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9324 9.7803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0302 10.0383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1224 9.8004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6532 10.6131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5554 10.3553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1358 10.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1408 9.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4388 9.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6426 11.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4632 10.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6252 10.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5005 9.1441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5983 9.4021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6905 9.1643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2213 9.9769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1235 9.7192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7040 9.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7089 8.9952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0070 9.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7169 9.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0314 9.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1934 10.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5819 8.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8954 8.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1732 8.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0687 8.5080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1665 8.7660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2587 8.5281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7895 9.3408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6917 9.0830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2721 9.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2771 8.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5751 8.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7789 9.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5996 9.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7615 9.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6368 7.8718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7346 8.1298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8268 7.8920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3576 8.7046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2598 8.4468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8403 8.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8452 7.7229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1433 8.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8532 8.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1677 8.6846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3297 9.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 7.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0317 7.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3095 7.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3594 8.9073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9519 8.2016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1636 8.4081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1826 8.1841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7875 8.8899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2639 8.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5454 8.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7513 7.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1826 7.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5759 8.6835 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 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 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 106115 1 0 0 0 0 100106 1 0 0 0 0 M END > LMISSP0504AK03 > > Fucalpha1-4GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O32 > 1631.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260694 > - > - > Active (generated by computational methods) > - $$$$