Accord 08271317192D 102106 0 0 0 0 0 0 0 0999 V2000 20.2401 7.7480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5104 8.1681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7804 7.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6620 7.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8182 7.0182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9701 8.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0538 6.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0538 5.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3241 7.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9076 8.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1036 8.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5889 6.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8533 7.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1178 6.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3822 7.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6468 6.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0446 8.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3090 7.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5735 8.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8379 7.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1022 8.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3669 7.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6312 8.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8956 7.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6468 5.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8956 7.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0896 6.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2838 7.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4778 6.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6718 7.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8659 6.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8478 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0489 5.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4511 5.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6522 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8533 5.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0544 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2555 5.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4566 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6576 5.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8587 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0598 5.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9751 10.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3077 10.1635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3698 10.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4261 10.1844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9383 11.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8762 10.7612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4401 11.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4848 10.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7155 10.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4139 10.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8200 11.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9488 11.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7466 10.4698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8086 10.7380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8649 10.4908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3771 11.3356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3151 11.0676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8789 11.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9236 10.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1543 10.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3661 11.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2589 11.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3877 11.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3329 10.7839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5646 10.1828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2100 9.2740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2398 9.3758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0079 9.9772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5478 9.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9745 10.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6382 8.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7888 9.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3628 10.8860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5704 10.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8168 8.9137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0485 8.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6938 7.4038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7237 7.5056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4918 8.1070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0317 7.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4584 8.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9700 7.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2726 7.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8466 9.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0543 8.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1466 6.6685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2087 6.9367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2650 6.6895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7772 7.5343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7151 7.2664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2790 7.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3237 6.5137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 6.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7662 7.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6589 7.5134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7877 7.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 6.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5175 6.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 6.3078 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 63 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 74 78 1 0 0 0 0 89 90 1 1 0 0 0 91 90 1 1 0 0 0 92 91 1 1 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 98 1 0 0 0 0 89 98 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 100101 1 0 0 0 0 100102 2 0 0 0 0 85 89 1 0 0 0 0 M END > LMISSP0505DN03 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C70H128N2O28 > 1444.87 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261662 > - > - > Active (generated by computational methods) > - $$$$