Accord 08271317192D 128134 0 0 0 0 0 0 0 0999 V2000 24.3204 7.0776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6459 7.4660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9713 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7102 6.4033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9305 6.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 7.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2239 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2239 5.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5495 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0132 8.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2701 8.1169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8700 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1901 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5104 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8305 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1507 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4708 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7910 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1111 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4313 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7515 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0716 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3918 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7119 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0321 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3522 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6725 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9926 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3128 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6329 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9531 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2912 7.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6113 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9314 7.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2516 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5718 7.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8920 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2121 7.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5323 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8524 7.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1726 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4927 7.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8129 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1331 7.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4532 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3829 9.3111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5156 9.5591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6430 9.3304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1919 10.1116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0592 9.8638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6559 10.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6219 9.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9859 9.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7070 9.8317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9319 10.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1263 10.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0899 9.5944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2226 9.8424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3500 9.6137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8989 10.3949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7662 10.1471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3629 10.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3289 9.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6929 9.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8887 10.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6389 10.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8333 10.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7909 8.9828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9236 9.2308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0510 9.0022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5999 9.7834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4672 9.5356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0639 9.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0300 8.8397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3939 9.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1151 9.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3399 9.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5344 10.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9079 8.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2092 8.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5150 8.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4920 8.3713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6247 8.6193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7520 8.3907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3010 9.1719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1683 8.9241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7650 9.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7310 8.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0949 8.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2908 9.6800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0410 9.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2354 9.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1930 7.7598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3257 8.0078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4531 7.7792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0020 8.5604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8693 8.3126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4660 8.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4320 7.6166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7960 7.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5171 8.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7420 8.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9364 8.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3099 7.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6113 7.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9171 7.4263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 8.0431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0327 8.2911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1601 8.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7090 8.8437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5763 8.5959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1730 8.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 7.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 8.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6989 9.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4490 8.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6434 9.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6404 9.9782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9578 9.5937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4067 10.1504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4854 10.4450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3313 10.7330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8294 10.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5269 9.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8639 10.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2220 9.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8825 10.1765 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 77119 1 0 0 0 0 M END > LMISSP0504BD04 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C86H155N3O37 > 1822.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260847 > - > - > Active (generated by computational methods) > - $$$$