Accord 08271317192D 92 95 0 0 0 0 0 0 0 0999 V2000 22.8732 7.6796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1634 8.0882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4535 7.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2835 6.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4628 6.9698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5832 8.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7193 6.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7193 5.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0096 6.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5498 8.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7678 8.7732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2945 6.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5791 6.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8637 6.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1482 6.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4329 6.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7377 8.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0223 7.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3069 8.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5914 7.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8759 8.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1607 7.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4451 8.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7297 7.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4329 5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7297 6.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9457 6.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1619 6.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3779 6.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5940 6.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8101 6.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6558 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8788 5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1017 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3247 5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5476 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7706 5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9935 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2164 5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4394 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6623 5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8853 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1082 5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3312 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5541 5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7771 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5881 10.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9390 10.0290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0267 10.2898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1088 10.0493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6344 10.8710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5467 10.6104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1224 10.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1386 9.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4177 10.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1244 10.5766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4646 10.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6173 11.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4752 10.3270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5630 10.5878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6451 10.3473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1706 11.1690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0829 10.9084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6587 11.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6748 10.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9539 10.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1600 11.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0009 11.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1535 11.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1550 10.6325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4077 10.0477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0628 9.1638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1191 9.2629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8662 9.8478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4187 9.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8064 9.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5066 8.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6804 9.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2114 10.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4407 10.2442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7077 8.8134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9604 8.2287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6155 7.3448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6718 7.4438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4189 8.0288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9714 7.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3591 8.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0593 6.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2331 7.7494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7641 8.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9934 8.4251 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 67 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 78 82 1 0 0 0 0 M END > LMISSP0505DM05 > > Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C66H123NO23 > 1297.85 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261656 > - > - > Active (generated by computational methods) > - $$$$