Accord 08271317192D 130136 0 0 0 0 0 0 0 0999 V2000 24.3206 7.5393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6461 7.9275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9714 7.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9306 6.8647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2240 6.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2240 5.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5495 6.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0133 8.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2701 8.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8700 6.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1901 6.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5102 6.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8303 6.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1505 6.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2912 7.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6113 7.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9314 7.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2515 7.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5715 7.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8918 7.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2118 7.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5319 7.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1505 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5319 6.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7869 6.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0420 6.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2970 6.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5520 6.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8071 6.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4121 5.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6736 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9351 5.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1967 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4582 5.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7198 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9813 5.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2428 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5044 5.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7659 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0275 5.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2890 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5506 5.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8121 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0736 5.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3352 5.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3831 9.7719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5162 10.0198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6439 9.7913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1930 10.5722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0599 10.3245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6568 10.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6224 9.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9870 9.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7083 10.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9323 10.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1270 10.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0914 10.0551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2245 10.3030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3522 10.0745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9013 10.8554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7682 10.6077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3651 10.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3308 9.9120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6953 10.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8911 11.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6406 10.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8353 11.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7937 9.4438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9268 9.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0545 9.4632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6036 10.2441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4706 9.9964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0674 10.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0331 9.3007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3977 9.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1189 9.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3429 10.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5377 10.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9110 9.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2123 8.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5183 9.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5020 9.7270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6351 9.9749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7628 9.7464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3119 10.5273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1789 10.2796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7757 10.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7414 9.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1060 9.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3018 11.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0513 10.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2460 10.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2044 9.1158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3374 9.3636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 9.1351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0142 9.9160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8812 9.6683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4780 9.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4437 8.9726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 9.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5296 9.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7536 9.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9483 10.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3217 8.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6229 8.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9289 8.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9067 8.5045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0397 8.7524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1675 8.5238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7166 9.3047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5835 9.0570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1804 9.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1460 8.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5106 8.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7064 9.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4559 9.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6506 9.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6384 9.5443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6466 8.7614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8936 8.5466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1918 7.8815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3469 8.7611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9824 8.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0597 9.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7543 8.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4551 7.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0998 8.9760 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 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 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 92 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 103110 1 0 0 0 0 121122 1 1 0 0 0 122123 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 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 78121 1 0 0 0 0 M END > LMSP0505CK05 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C88H159N3O37 > 1850.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261472 > - > - > Active (generated by computational methods) > - $$$$