Accord 08271317192D 134140 0 0 0 0 0 0 0 0999 V2000 23.8902 7.8180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1401 8.2498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3897 7.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3239 7.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4565 7.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6407 8.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6707 6.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6707 5.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9206 7.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5484 8.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7219 8.9738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1648 6.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4087 7.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6525 6.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8964 7.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1404 6.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6333 8.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8771 7.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1210 8.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3648 7.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6086 8.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8526 7.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0964 8.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3402 7.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1404 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3402 7.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5117 6.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6832 7.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8547 6.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0261 7.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1977 6.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3191 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4978 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6765 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8553 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0340 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2127 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3914 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5702 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7489 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9276 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1064 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2851 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4638 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6425 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8213 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6458 10.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9598 10.3011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9956 10.5767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0255 10.3226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5240 11.1910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4882 10.9156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0398 11.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1138 10.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2950 10.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9850 10.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4584 11.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5628 11.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2989 10.6160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3347 10.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3646 10.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8632 11.5060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8274 11.2305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3790 11.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4529 10.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6341 10.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8519 12.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7976 11.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9020 11.8406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7898 10.9389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9999 10.3209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6354 9.3867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6380 9.4914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4277 10.1096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9547 9.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4213 10.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0476 8.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1744 9.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7924 11.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9779 10.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0449 8.0136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0807 8.2893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1106 8.0351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6091 8.9036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5733 8.6281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1249 8.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1989 7.8544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3801 8.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5978 9.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5435 8.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6479 9.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 7.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3982 7.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6264 7.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2159 12.4739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5264 13.2019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5620 13.4770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5724 14.4798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2621 13.7518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0079 14.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4068 12.7675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0329 14.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9500 14.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2265 13.4767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6369 14.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1822 12.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3483 12.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8062 12.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2639 14.2225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5744 14.9506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6100 15.2256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6205 16.2284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3101 15.5005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0559 15.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4548 14.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0809 15.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8983 16.7204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2745 15.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6849 15.9876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2122 16.4565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5226 17.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5582 17.4597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5687 18.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2584 17.7345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0042 18.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4031 16.7502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0291 18.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7766 18.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2227 17.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6332 18.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1785 16.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3446 16.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8025 16.8594 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 2 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 67 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 70 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 123122 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 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 118121 1 0 0 0 0 M END > LMISSP0506AJ07 > > GalNAcbeta1-3Galalpha1-3(GalNAcbeta1-4Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C90H160N4O38 > 1905.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261890 > - > - > Active (generated by computational methods) > - $$$$