Accord 08271317192D 123128 0 0 0 0 0 0 0 0999 V2000 23.8288 7.8097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0811 8.2401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3332 7.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2611 7.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3966 7.0619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5769 8.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6133 6.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6133 5.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8656 7.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4882 8.9452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6643 8.9617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1123 6.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3586 7.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6049 6.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8513 7.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0977 6.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5792 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8255 7.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0718 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3182 7.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5644 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8109 7.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0571 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3034 7.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0977 5.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3034 7.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4775 6.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6518 7.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8259 6.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 7.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1743 6.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2791 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4605 5.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6419 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8232 5.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0046 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1860 5.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5488 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7302 5.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9116 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0930 5.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2744 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4558 5.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6372 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8186 5.7201 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 24.5820 10.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8982 10.2846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9371 10.5594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9702 10.3061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4703 11.1717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4314 10.8971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9845 11.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0550 10.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2421 10.5013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9331 10.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3984 11.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5058 11.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2492 10.5986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2882 10.8734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3212 10.6200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8214 11.4857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7824 11.2111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3355 11.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4060 10.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5931 10.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8101 12.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7495 11.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8568 11.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7515 10.9204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9642 10.3044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6008 9.3732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6067 9.4776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3938 10.0938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9224 9.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3842 10.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0149 8.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1446 9.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7574 11.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9455 10.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0155 8.0046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0544 8.2794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0875 8.0261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5877 8.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5487 8.6171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1018 8.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1723 7.8460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3594 8.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5764 9.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5158 8.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6231 9.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0370 7.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3709 7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6016 7.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5177 8.3264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7305 7.7105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3671 6.7793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3730 6.8837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1600 7.4998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6886 7.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1504 7.5510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7812 6.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0215 7.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5236 8.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7118 7.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2416 7.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6313 7.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9857 6.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1730 12.4504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4857 13.1761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5244 13.4503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5348 14.4498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2223 13.7242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9689 14.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3665 12.7431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9970 13.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9144 14.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1835 13.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5958 14.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1426 12.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3082 12.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7679 12.8520 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 89 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 121122 1 0 0 0 0 121123 2 0 0 0 0 70110 1 0 0 0 0 M END > LMISSP0506AL07 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C84H150N4O33 > 1743.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261906 > - > - > Active (generated by computational methods) > - $$$$