Accord 08271317192D 101105 0 0 0 0 0 0 0 0999 V2000 20.1182 7.7378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3915 8.1561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6645 7.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5383 7.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6980 7.0110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8452 8.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9367 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9367 5.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2100 7.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7871 8.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9863 8.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4779 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7453 7.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0127 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2802 7.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5477 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9317 8.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1991 7.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4666 8.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7340 7.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0013 8.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2690 7.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5363 8.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8038 7.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5477 5.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8038 7.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0011 6.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1985 7.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3958 6.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5931 7.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7905 6.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7521 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9565 5.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1608 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3652 5.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5695 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7739 5.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9782 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1826 5.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3869 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5913 5.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7956 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8502 10.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1856 10.1434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2515 10.4105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3116 10.1642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8258 11.0056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7599 10.7387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3256 10.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3660 9.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6039 10.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3036 10.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6999 10.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8322 11.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6390 10.4485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7049 10.7156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7650 10.4693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2792 11.3107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2133 11.0438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7789 11.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8194 10.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0573 10.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2683 11.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1532 11.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2856 11.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0859 9.7899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1518 10.0570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2120 9.8107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7262 10.6521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6603 10.3852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2259 10.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2663 9.6357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5043 10.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2040 10.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 10.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7326 10.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1348 9.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4594 9.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7117 9.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5393 10.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6052 10.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6654 10.1159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1796 10.9572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1137 10.6903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6793 10.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7197 9.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9577 10.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1686 11.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0536 10.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1860 11.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6862 9.8982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6950 9.0546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8837 8.8231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1276 8.1065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2947 9.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9020 8.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1401 9.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7336 8.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4113 7.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 9.2857 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 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 93 94 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 92101 1 0 0 0 0 74 92 1 0 0 0 0 M END > LMISSP0505AB03 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C70H128N2O27 > 1428.87 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44260982 > - > - > Active (generated by computational methods) > - $$$$