Accord 08271317182D 103107 0 0 0 0 0 0 0 0999 V2000 19.0768 7.3099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3262 7.7422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5753 7.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5107 6.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6429 6.5593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8278 7.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8565 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8565 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1059 6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7349 8.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9078 8.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3497 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5930 6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8364 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0798 6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3231 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5665 6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8098 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0532 6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2965 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5399 6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7832 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0266 6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2699 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5133 6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7566 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8183 7.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0617 7.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3050 7.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5484 7.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7917 7.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0351 7.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2784 7.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5218 7.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7651 7.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0085 7.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2519 7.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4952 7.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7387 7.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9820 7.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8328 10.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1462 9.7942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1814 10.0701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2107 9.8158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7089 10.6848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6737 10.4091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2250 10.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2997 9.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4797 10.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1695 10.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6446 10.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7484 11.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4830 10.1094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5182 10.3853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5474 10.1309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0456 11.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0105 10.7243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5618 10.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6365 9.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8165 10.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0343 11.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9813 10.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0851 11.3348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3478 11.3012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3830 11.5771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4123 11.3227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9105 12.1918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8753 11.9161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4266 12.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5013 11.1419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6813 11.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8992 12.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8461 12.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 12.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3655 10.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7007 10.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9284 10.9302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8131 9.4291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8422 9.1754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1361 8.4624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2618 8.9550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2326 9.2088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7146 9.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1655 8.8611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4072 8.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9560 8.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9389 9.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9861 9.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1565 8.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5672 8.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7802 8.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2695 8.1483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5795 8.8768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6145 9.1521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6249 10.1556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3150 9.4271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0607 9.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4598 8.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 9.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9029 10.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2801 9.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6901 9.9145 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 62 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 85 90 1 0 0 0 0 90 91 1 0 0 0 0 90 92 2 0 0 0 0 61 79 1 0 0 0 0 93 94 1 1 0 0 0 95 94 1 1 0 0 0 96 95 1 1 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 97102 1 0 0 0 0 93102 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 98103 1 0 0 0 0 87 93 1 0 0 0 0 M END > LMSP0503AO02 > > GalNAcbeta1-4(Galbeta1-4GlcNAcbeta1-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C70H127N3O28 > 1457.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260597 > - > - > Active (generated by computational methods) > - $$$$