Accord 08271317192D 92 95 0 0 0 0 0 0 0 0999 V2000 22.9006 7.6834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1898 8.0925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4788 7.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3116 6.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4896 6.9724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6118 8.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7450 6.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7450 5.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0342 6.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5768 8.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7935 8.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3180 6.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6015 6.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8850 6.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1684 6.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4520 6.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7619 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0454 7.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3288 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6123 7.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8957 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1793 7.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4627 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7462 7.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4520 5.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7462 6.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9610 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1760 6.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3908 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6057 6.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8206 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6737 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8955 5.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1172 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3390 5.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5607 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7825 5.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0042 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4477 5.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6695 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8912 5.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3347 5.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5565 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7782 5.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6167 10.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9665 10.0363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0529 10.2976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1336 10.0567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6584 10.8797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5721 10.6186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1472 10.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1649 9.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4414 10.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1476 10.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4914 10.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6428 11.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4975 10.3348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5838 10.5960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6645 10.3552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1893 11.1781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1030 10.9171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6781 11.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6958 10.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9723 10.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1786 11.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0224 11.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1737 11.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1721 10.6407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4237 10.0551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0782 9.1699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1331 9.2691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8814 9.8549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4332 9.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8230 9.9035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5212 8.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6938 9.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2271 10.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4552 10.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7211 8.8189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9726 8.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6272 7.3480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6821 7.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4303 8.0330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9821 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3719 8.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0702 6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2427 7.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7760 8.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0041 8.4300 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 2 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 > LMISSP0505DM07 > > Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C66H121NO23 > 1295.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261658 > - > - > Active (generated by computational methods) > - $$$$