Accord 08271317192D 104108 0 0 0 0 0 0 0 0999 V2000 21.6566 7.7299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9321 8.1469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2075 7.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0754 7.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2377 7.0054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3813 8.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4788 6.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4788 5.7393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7544 6.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3265 8.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5283 8.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0246 6.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2944 6.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5641 6.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8339 6.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1038 6.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4770 8.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7467 7.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0165 8.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2863 7.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5559 8.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8259 7.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0956 8.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3653 7.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1038 5.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3653 7.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5652 6.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7651 7.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9649 6.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 7.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3647 6.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3106 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5175 5.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7244 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9313 5.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1381 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3450 5.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5519 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7588 5.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9656 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1725 5.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3794 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5863 5.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7931 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3863 10.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7237 10.1279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7926 10.3941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8557 10.1487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3715 10.9873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3026 10.7213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8696 10.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9067 9.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1503 10.3377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8509 10.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2396 10.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3747 11.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1883 10.4320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2572 10.6983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3204 10.4528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8361 11.2915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7672 11.0255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3342 11.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3714 10.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6149 10.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8252 11.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7042 11.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8393 11.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7994 10.7438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0367 10.1470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6846 9.2448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7215 9.3459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4840 9.9430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0273 9.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4436 9.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1170 8.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2737 9.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8363 10.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0497 10.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1486 7.9188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2175 8.1851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2806 7.9396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7964 8.7783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7275 8.5122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2945 8.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3317 7.7651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5752 8.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2758 8.4778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6645 8.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7996 9.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2006 7.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5241 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7788 7.5607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6133 8.2230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6821 8.4892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7453 8.2438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2610 9.0825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1921 8.8164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7591 9.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7963 8.0693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0398 8.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2501 9.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1291 9.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2642 9.4056 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 65 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 88 94 1 0 0 0 0 M END > LMISSP0505DD04 > > Galbeta1-4GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O28 > 1472.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261599 > - > - > Active (generated by computational methods) > - $$$$