Accord 08271317182D 124130 0 0 0 0 0 0 0 0999 V2000 24.3404 7.0170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6854 7.3942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0301 7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7190 6.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9617 6.3620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2755 5.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2755 5.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6205 6.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0419 8.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3202 8.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9606 5.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3003 6.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6400 5.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9798 6.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3195 5.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6592 6.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9989 5.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3387 6.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6784 5.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0181 6.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3579 5.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6976 6.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0373 5.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3771 6.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7168 5.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0565 6.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3695 7.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7092 7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0490 7.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3887 7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7284 7.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0682 7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4079 7.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7476 7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0873 7.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4271 7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7668 7.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1065 7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4464 7.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7861 7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4009 9.1849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5590 9.4256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7119 9.2037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2740 9.9620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1160 9.7215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7244 9.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6622 9.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0740 9.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 9.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9631 9.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 10.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2043 9.4599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3623 9.7006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5153 9.4787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0774 10.2370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9193 9.9965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5278 10.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4656 9.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8774 9.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0675 10.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7665 10.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9845 10.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0018 8.8663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1599 9.1070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3128 8.8851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8749 9.6434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7168 9.4029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3253 9.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2631 8.7273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6749 9.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4042 9.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5640 9.6247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7820 9.9356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1446 8.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4371 8.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7632 8.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7993 8.2726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9574 8.5134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1103 8.2914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6724 9.0498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5144 8.8092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1229 9.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0606 8.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4724 8.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6626 9.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3616 9.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5795 9.3419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5969 7.6790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7550 7.9197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9079 7.6978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4700 8.4561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3119 8.2156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9204 8.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8582 7.5400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 7.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9993 8.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1591 8.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3771 8.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7397 7.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0322 7.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 7.3552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 7.9540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5583 8.1948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7112 7.9728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2733 8.7312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1153 8.4906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7237 8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6615 7.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0733 8.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2635 9.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9624 8.7124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1804 9.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2007 7.8150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8204 7.1565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0848 7.3492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1695 7.1402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7339 7.7988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2453 7.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3743 7.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 6.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1695 6.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4695 7.6062 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 3 28 2 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 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 72 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 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 110115 1 0 0 0 0 M END > LMISSP0504AV02 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C82H147N3O37 > 1765.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260781 > - > - > Active (generated by computational methods) > - $$$$