Accord 08271317192D 84 87 0 0 0 0 0 0 0 0999 V2000 18.2806 7.6925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5671 8.1032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8534 7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6931 6.9789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8681 6.9789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9944 8.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1207 6.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1207 5.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4072 6.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9555 8.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1694 8.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6884 6.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9691 6.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2499 6.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5307 6.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8116 6.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1339 8.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4147 7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6955 8.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9763 7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2569 8.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5379 7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8186 8.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0994 7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8116 5.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0994 6.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3113 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5233 6.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7352 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9471 6.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1592 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0304 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 5.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4681 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 5.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9058 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1246 5.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3435 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5623 5.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9967 10.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3067 10.3320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4619 10.7749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5092 10.7256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2098 11.6313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0547 11.1886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6871 11.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4880 10.3471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8666 11.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6476 11.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0075 11.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2420 11.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9576 11.3322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1128 11.7753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1602 11.7259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8607 12.6316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7056 12.1888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3381 12.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1389 11.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5174 12.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9593 13.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6584 12.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8929 12.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7513 12.3107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8963 11.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3764 11.0878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4676 11.3779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3224 11.8013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8413 11.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2579 11.6572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7370 10.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 11.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8427 12.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9844 12.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6408 11.3129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9399 10.5403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2739 10.0478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8259 9.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6526 10.0570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4301 9.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1923 11.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3376 9.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3186 10.5497 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 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 61 65 1 0 0 0 0 76 77 1 1 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 84 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 76 84 1 0 0 0 0 71 76 1 0 0 0 0 6 42 1 0 0 0 0 M END > LMISSP0506AA02 > > Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C60H111NO21 > 1181.76 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261853 > - > - > Active (generated by computational methods) > - $$$$