Accord 08271317192D 140147 0 0 0 0 0 0 0 0999 V2000 24.3400 7.4640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6849 7.8412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0295 7.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9612 6.8088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2749 6.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2749 5.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6198 6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0415 8.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3196 8.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9597 6.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2993 6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6389 6.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9784 6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3181 6.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3688 7.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7084 7.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0480 7.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3876 7.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7270 7.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0668 7.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4063 7.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7459 7.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3181 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7459 6.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0222 6.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2987 6.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5750 6.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8513 6.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1278 6.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6008 5.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8835 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1662 5.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4489 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7316 5.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0143 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2970 5.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5797 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8624 5.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1451 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4278 5.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7105 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9932 5.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2759 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5586 5.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8413 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4008 9.6327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5587 9.8735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7114 9.6515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2734 10.4100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1155 10.1694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7239 10.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6619 9.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0734 9.8225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8026 10.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9629 10.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1807 10.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2034 9.9078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3613 10.1486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5140 9.9266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0760 10.6851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9182 10.4445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5265 10.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4645 9.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8760 10.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0662 11.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7655 10.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9833 10.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0002 9.3140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1581 9.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3108 9.3328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8728 10.0913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7150 9.8507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3234 10.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2613 9.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6728 9.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4020 9.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5623 10.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7801 10.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1428 8.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4354 8.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7613 8.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8028 9.5891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9607 9.8299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1134 9.6079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6755 10.3664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5176 10.1258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1260 10.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0640 9.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4754 9.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6656 10.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3650 10.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5828 10.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5996 8.9953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7575 9.2361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9102 9.0142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4723 9.7727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3144 9.5321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9228 9.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8608 8.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2722 9.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0015 9.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1618 9.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3796 10.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7422 8.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0348 8.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3608 8.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4023 9.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5601 9.5112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7129 9.2892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2749 10.0477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1170 9.8071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7254 10.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 9.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0748 9.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 10.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9644 10.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1822 10.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2025 9.1314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8221 8.4727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0864 8.6655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1708 8.4564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7353 9.1152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2466 8.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3761 8.6213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7016 8.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 7.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 8.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5347 9.0930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5427 8.3324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8113 8.1238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1295 7.4778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2802 8.3322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9262 7.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9440 8.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6759 7.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3854 7.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0116 8.5409 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 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 79 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 103131 1 0 0 0 0 M END > LMISSP0505AZ05 > > Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C94H169N3O41 > 1996.12 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261176 > - > - > Active (generated by computational methods) > - $$$$