Accord 08271317192D 109113 0 0 0 0 0 0 0 0999 V2000 23.4996 7.7649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7650 8.1877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0301 7.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9243 7.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0749 7.0301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2345 8.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3053 6.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3053 5.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5707 7.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1649 8.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3554 8.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8306 6.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0901 7.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3496 6.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6090 7.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8686 6.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2893 8.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5488 7.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8083 8.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0678 7.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3272 8.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5869 7.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8462 8.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1057 7.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8686 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1057 7.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2943 6.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4830 7.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6716 6.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8601 7.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0488 6.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0643 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2601 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4558 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6515 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8472 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0429 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2386 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4343 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6300 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8257 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0214 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2172 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4129 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6086 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8043 5.7118 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 24.2396 10.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5677 10.1966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6235 10.4665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6734 10.2176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1823 11.0681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1266 10.7983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6875 11.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7392 10.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9580 10.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6544 10.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0767 11.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1997 11.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9826 10.5050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0383 10.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0883 10.5261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5972 11.3766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5414 11.1068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1023 11.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1541 10.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3729 10.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5861 11.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4916 11.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6145 11.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5460 10.8212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7725 10.2160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4155 9.3011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4388 9.4036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2120 10.0090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7488 9.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1851 10.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8398 8.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9847 9.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5693 10.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7716 10.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8578 7.9564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9136 8.2264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9636 7.9775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4725 8.8280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4167 8.5582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9776 8.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0294 7.8005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2482 8.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4614 9.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3668 8.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4898 9.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8964 7.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2245 7.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4687 7.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9426 12.3244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2674 13.0375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3229 13.3068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3331 14.2889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0085 13.5760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7596 14.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1502 12.6120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8047 13.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7236 14.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9530 13.3065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3756 14.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 12.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0930 12.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5621 12.7190 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 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 70 96 1 0 0 0 0 M END > LMISSP0506AO07 > > GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C76H137N3O28 > 1539.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261930 > - > - > Active (generated by computational methods) > - $$$$