Accord 08271317182D 115120 0 0 0 0 0 0 0 0999 V2000 23.3380 7.2748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6001 7.6997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8620 7.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7644 6.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9114 6.5370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0761 7.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1384 6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1384 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4007 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0019 8.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1889 8.4117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6573 6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9135 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1698 6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4260 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6823 6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9386 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1949 6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4511 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7074 6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9636 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2198 6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4761 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7324 6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9887 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2449 6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5012 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7574 6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0137 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5263 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1180 7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3742 7.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6305 7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8868 7.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1430 7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3993 7.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6555 7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9118 7.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1681 7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4244 7.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6806 7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9368 7.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1931 7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4493 7.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0814 9.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4063 9.7181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4575 9.9894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5029 9.7393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0094 10.5939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9582 10.3228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5170 10.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5738 9.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7840 9.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4789 10.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9129 10.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0316 10.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8038 10.0280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8550 10.2993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9004 10.0492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4069 10.9038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3557 10.6328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9145 10.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9713 9.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1815 10.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3958 11.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3104 10.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4291 11.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8764 12.1868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9276 12.4581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9730 12.2080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4795 13.0626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4283 12.7915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9871 13.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0440 12.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2541 12.4007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4684 13.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3831 13.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5018 13.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4232 12.5045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6460 11.8964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2872 10.9771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3058 11.0801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0828 11.6885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6174 11.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0606 11.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7088 10.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8495 11.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4418 12.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6402 12.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8779 10.6126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1006 10.0045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7419 9.0851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7604 9.1882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5375 9.7965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0720 9.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5153 9.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1634 8.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 9.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8964 10.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0949 10.2088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1767 7.7340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2279 8.0053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2733 7.7551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7798 8.6098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7286 8.3387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2874 8.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3442 7.5773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7687 9.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6833 8.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8020 8.9390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2106 7.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5403 7.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7809 7.3691 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 16 17 1 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 24 25 1 0 0 0 0 25 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 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 76 80 1 0 0 0 0 91 92 1 1 0 0 0 93 92 1 1 0 0 0 94 93 1 1 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 95100 1 0 0 0 0 91100 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 96101 1 0 0 0 0 87 91 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 113114 1 0 0 0 0 113115 2 0 0 0 0 98102 1 0 0 0 0 M END > LMISSP0502AQ04 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C78H142N2O33 > 1634.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260295 > - > - > Active (generated by computational methods) > - $$$$