Accord 08271317192D 130136 0 0 0 0 0 0 0 0999 V2000 24.4233 7.1523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8508 7.4819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2781 7.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7543 6.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0923 6.5797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4925 6.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4925 5.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9200 6.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1625 8.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5316 8.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3432 6.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7661 6.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1890 6.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6119 6.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0349 6.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7008 7.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1237 7.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5465 7.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9694 7.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3923 7.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8153 7.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2381 7.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6610 7.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0349 5.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6610 6.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0286 6.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3964 6.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7640 6.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1316 6.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4993 6.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4081 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7813 5.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1545 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5277 5.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9009 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2740 5.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6472 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0204 5.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3936 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7668 5.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1400 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5132 5.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4764 9.0474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7405 9.2578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0001 9.0639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6174 9.7267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3533 9.5164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0111 9.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8307 8.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4426 9.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2060 9.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0937 9.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4102 9.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6824 9.2878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9465 9.4982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2061 9.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8234 9.9671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5592 9.7568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2170 9.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0367 9.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6486 9.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8147 10.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2997 9.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6162 10.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8833 8.7689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1474 8.9794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4070 8.7854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0243 9.4482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7601 9.2379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4179 9.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2376 8.6475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8495 8.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6129 9.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5006 9.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8171 9.7036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1340 8.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3897 8.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8007 8.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0892 9.0093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3534 9.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6130 9.0258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2302 9.6886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9661 9.4783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6239 9.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4436 8.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0554 9.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2216 10.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7066 9.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0231 9.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2902 8.4905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5543 8.7009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8139 8.5069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4311 9.1697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1670 8.9595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8248 9.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6445 8.3690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2563 8.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0197 8.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9075 9.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2240 9.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5409 8.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7966 8.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2076 8.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4961 8.7308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7602 8.9412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0199 8.7473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6371 9.4101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3730 9.1998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0308 9.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8505 8.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4623 8.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6285 9.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1135 9.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4300 9.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 8.2120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9612 8.4224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2208 8.2284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8380 8.8912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5739 8.6810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2317 8.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0514 8.0905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6632 8.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 8.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3144 8.8749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6309 9.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9478 7.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2035 7.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6144 7.9290 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 75 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 108107 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 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 1 0 0 0 0 M END > LMISSP0505BF03 > > GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C86H154N4O38 > 1851.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261222 > - > - > Active (generated by computational methods) > - $$$$