Accord 08271317192D 126132 0 0 0 0 0 0 0 0999 V2000 18.5178 7.8385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7617 8.2737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0054 7.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9549 7.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0806 7.0823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2742 8.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2886 6.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2886 5.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5325 7.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1733 8.9867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3402 9.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7707 6.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0086 7.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2464 6.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4842 7.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7222 6.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2429 8.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4807 7.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7186 8.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9564 7.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1941 8.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4322 7.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6699 8.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9077 7.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7222 5.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9077 7.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0726 6.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2376 7.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4024 6.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 7.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7322 6.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8944 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0666 5.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2388 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4110 5.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5832 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7554 5.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9275 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0997 5.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2794 10.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5879 10.3412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6160 10.6191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6382 10.3630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1328 11.2383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1046 10.9606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6527 11.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7352 10.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9019 10.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5894 10.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0825 11.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1798 11.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8979 10.6587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9261 10.9366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9483 10.6804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4428 11.5558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4147 11.2781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9627 11.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0452 10.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2119 10.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4314 12.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3926 11.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4899 11.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3608 10.9841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5647 10.3612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1973 9.4196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1920 9.5251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9879 10.1483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5112 9.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9894 10.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6048 8.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7247 9.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3556 11.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5346 10.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5941 8.0356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6223 8.3135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6445 8.0573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1390 8.9327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1109 8.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6589 8.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7414 7.8752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 8.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1276 9.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0888 8.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1861 9.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6046 7.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9423 7.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1644 7.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7984 12.5314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1033 13.2652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1313 13.5425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1418 14.5533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8369 13.8195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5807 14.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9828 12.8273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5979 14.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5144 14.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8090 13.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2147 14.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7564 12.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9238 12.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3774 12.9374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8229 14.2939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1279 15.0277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1558 15.3050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1663 16.3158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8615 15.5820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6053 16.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0073 14.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6225 15.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4463 16.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8335 15.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2393 16.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7548 16.5457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0598 17.2796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0877 17.5568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0983 18.5676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7934 17.8338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5372 18.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9393 16.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 18.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3078 18.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7655 17.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1712 18.3248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7129 16.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8803 16.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3339 16.9518 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 59 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 62 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 110113 1 0 0 0 0 M END > LMISSP0506AJ01 > > GalNAcbeta1-3Galalpha1-3(GalNAcbeta1-4Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C82H146N4O38 > 1794.96 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261884 > - > - > Active (generated by computational methods) > - $$$$