Accord 08271317182D 109113 0 0 0 0 0 0 0 0999 V2000 23.5597 7.3036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8113 7.7346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0627 7.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9922 6.5553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1270 6.5553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3083 7.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3430 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3430 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5948 6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2188 8.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3942 8.4567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8408 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0865 6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3322 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5778 6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8236 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0692 6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3149 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5606 6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8063 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0519 6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2975 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5433 6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7889 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0346 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2803 6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5260 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7716 6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0174 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2630 6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5087 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7544 6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3081 7.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5538 7.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7994 7.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0451 7.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2908 7.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5365 7.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7821 7.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0279 7.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2735 7.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5192 7.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7649 7.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0105 7.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2562 7.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5019 7.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3137 10.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6290 9.7817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6667 10.0569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6984 9.8032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1980 10.6700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1603 10.3950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7128 10.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 9.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9694 9.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6600 10.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1286 10.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2347 11.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9752 10.0961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0129 10.3712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0447 10.1176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5442 10.9843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5065 10.7094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0590 10.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1309 9.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3156 10.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5329 11.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4748 10.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5810 11.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0062 12.2856 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.0439 12.5607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0757 12.3070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5752 13.1738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5375 12.8989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0900 13.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1619 12.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3466 12.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5639 13.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5058 13.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6120 13.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3458 11.6070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3835 11.8822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4153 11.6285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9148 12.4953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8771 12.2203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4296 12.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5015 11.4482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6862 11.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9035 12.9221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8454 12.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9516 12.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 11.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7004 10.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9301 11.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8434 11.9293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0551 11.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6913 10.3801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6959 10.4846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4839 11.1016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0119 10.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4757 11.1528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1046 9.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3439 10.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 12.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0351 11.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5669 10.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9572 11.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3107 10.5664 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 2 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 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 89 96 1 0 0 0 0 M END > LMISSP0502AC07 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C76H137N3O28 > 1539.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260186 > - > - > Active (generated by computational methods) > - $$$$