Accord 08271317182D 127133 0 0 0 0 0 0 0 0999 V2000 24.2920 7.1650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5896 7.5693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8871 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6979 6.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8860 6.4627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9946 7.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1502 6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1502 5.2353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4479 6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9720 8.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1982 8.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7404 6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0325 6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3246 6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6167 6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9088 6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2009 6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4929 6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7851 6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0771 6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3693 6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9535 6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2455 6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5377 6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8297 6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1219 6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4139 6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7060 6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9981 6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2902 6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5823 6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8744 6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1790 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4710 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7631 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0552 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3473 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6394 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9315 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2236 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5157 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8078 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0999 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3919 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6841 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9761 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3571 9.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4536 9.7501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5446 9.5119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0747 10.3257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9782 10.0675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5581 10.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5644 9.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8601 9.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5696 10.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8873 10.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0481 10.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9268 9.7869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0233 10.0452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1143 9.8070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6444 10.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5479 10.3627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1277 10.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1341 9.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4298 9.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6338 11.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4570 10.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6178 10.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1393 11.8425 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.2358 12.1008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3268 11.8626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8569 12.6764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7604 12.4183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3402 12.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3466 11.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6423 12.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8463 13.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6695 12.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8303 12.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7027 11.2054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7992 11.4638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8902 11.2256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4203 12.0394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3238 11.7812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9036 12.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9100 11.0563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2057 11.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4097 12.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2329 12.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3937 12.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7828 10.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0967 10.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3735 10.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2661 10.5684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3626 10.8267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4536 10.5886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9837 11.4023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8872 11.1442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4670 11.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4734 10.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7691 10.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9731 11.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7963 11.3823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9571 11.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9779 10.8709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2378 10.2919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8961 9.4165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9616 9.5146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7015 10.0939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2583 9.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6326 10.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3454 8.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5271 9.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0433 10.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2801 10.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9789 10.4192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9874 9.6033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2027 9.3795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4713 8.6864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6329 9.6030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2531 9.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4179 10.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0575 8.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7457 8.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4176 9.8269 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 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 89 96 1 0 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 103107 1 0 0 0 0 118119 1 1 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 122127 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 118127 1 0 0 0 0 102118 1 0 0 0 0 M END > LMISSP0502AK05 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C86H156N2O37 > 1809.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260248 > - > - > Active (generated by computational methods) > - $$$$