Accord 08271317192D 114119 0 0 0 0 0 0 0 0999 V2000 24.3202 7.5388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6454 7.9272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9704 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9301 6.8639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2232 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2232 5.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5483 6.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0128 8.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2692 8.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8685 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1882 6.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5080 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8278 6.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1476 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2899 7.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6096 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9294 7.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2492 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5688 7.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8888 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2084 7.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5282 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1476 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5282 6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7828 6.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0375 6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2922 6.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5468 6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8015 6.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4088 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6700 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9311 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1923 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4535 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7147 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9758 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2370 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4982 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7594 5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3828 9.7725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5154 10.0206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6427 9.7919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1916 10.5732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0590 10.3254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6556 10.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6218 9.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9855 9.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7067 10.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9318 10.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1261 10.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0895 10.0559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2221 10.3039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3494 10.0753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8983 10.8565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7657 10.6087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3623 10.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3284 9.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6922 10.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8881 11.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6385 10.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8328 11.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7902 9.4443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9228 9.6923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0501 9.4637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5990 10.2449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4664 9.9971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0630 10.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0291 9.3011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3929 9.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1140 9.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3392 10.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5335 10.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9070 9.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2084 8.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5141 9.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4969 9.7276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6295 9.9756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7568 9.7470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3056 10.5283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1730 10.2804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7697 10.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7358 9.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0996 9.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2955 11.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0458 10.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2402 10.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1975 9.1160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3302 9.3641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4575 9.1354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0063 9.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8737 9.6689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4704 9.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4365 8.9729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8003 9.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5214 9.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7465 9.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9409 10.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3144 8.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6158 8.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9215 8.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 9.3994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0368 9.6474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1641 9.4187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7130 10.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5804 9.9522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1770 10.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1432 9.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 9.5949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7028 10.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4532 10.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6475 10.5010 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 M END > LMISSP0505AL02 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O33 > 1619.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261061 > - > - > Active (generated by computational methods) > - $$$$