Accord 08271317192D 116121 0 0 0 0 0 0 0 0999 V2000 24.2857 7.6679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5767 8.0761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8674 7.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6957 6.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8758 6.9588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1330 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1330 5.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4239 6.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9627 8.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1814 8.7604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7096 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9948 6.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2801 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5653 6.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8507 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1524 8.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4376 7.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7229 8.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0081 7.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2933 8.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5787 7.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8639 8.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1491 7.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8507 5.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1491 6.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3659 6.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5828 6.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7996 6.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0164 6.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2334 6.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0744 5.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2981 5.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5218 5.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7455 5.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9691 5.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1928 5.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4165 5.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6402 5.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8639 5.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0876 5.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3113 5.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5350 5.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3515 10.0150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4401 10.2756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5231 10.0354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0491 10.8563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9605 10.5959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5367 10.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5518 9.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8326 10.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5396 10.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8776 10.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0310 11.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8911 10.3127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9797 10.5733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0627 10.3331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5887 11.1540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5001 10.8936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0763 11.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0914 10.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3722 10.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5780 11.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4172 11.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5706 11.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4244 9.6701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5130 9.9307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5960 9.6905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1220 10.5114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0334 10.2510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6096 10.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6247 9.5197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9055 9.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6125 10.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9505 10.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1039 10.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4964 9.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8131 9.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0836 9.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9640 9.9678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0526 10.2284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1356 9.9882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6616 10.8091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5730 10.5487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1492 10.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1643 9.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4451 10.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6509 11.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4901 10.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6435 11.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6469 10.2730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9003 9.6889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5557 8.8058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6130 8.9048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3594 9.4891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9123 9.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2986 9.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0001 8.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1747 9.2101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 10.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9343 9.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0523 7.5079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1409 7.7685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2239 7.5283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7499 8.3492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6613 8.0888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2375 8.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2527 7.3574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5334 7.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 8.7534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5784 8.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7319 8.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1244 7.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4410 6.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7115 7.1574 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 94 93 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 92101 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 97102 1 0 0 0 0 88 92 1 0 0 0 0 103104 1 1 0 0 0 105104 1 1 0 0 0 106105 1 1 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 107112 1 0 0 0 0 103112 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 114115 1 0 0 0 0 114116 2 0 0 0 0 99103 1 0 0 0 0 M END > LMISSP0505EL03 > > GalNAcbeta1-3Galalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O33 > 1647.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261814 > - > - > Active (generated by computational methods) > - $$$$