Accord 08271317182D 128134 0 0 0 0 0 0 0 0999 V2000 23.6808 7.3254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9245 7.7609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1680 7.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1180 6.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2435 6.5692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4374 7.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4513 6.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4513 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6952 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3363 8.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5030 8.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9332 6.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1708 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4085 6.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6462 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8840 6.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1216 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3593 6.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5970 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8347 6.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0724 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3100 6.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5477 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7854 6.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0231 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2608 6.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4985 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7361 6.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9739 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2116 6.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4493 6.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4054 7.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6431 7.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8808 7.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1184 7.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3561 7.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5939 7.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8315 7.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0692 7.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3068 7.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5446 7.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7823 7.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0199 7.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2576 7.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4953 7.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4429 10.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7509 9.8297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7783 10.1078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7999 9.8515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2940 10.7275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2666 10.4496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8144 10.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8976 9.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0630 10.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7504 10.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2451 10.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3419 11.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0584 10.1474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0859 10.4256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1074 10.1691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6017 11.0451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5741 10.7673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1219 11.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2051 9.9869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3705 10.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5903 11.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5528 11.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6494 11.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0579 12.3602 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.0854 12.6382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1069 12.3819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6011 13.2578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5737 12.9799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1214 13.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2047 12.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3701 12.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5897 13.8275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5522 13.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6490 13.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5497 12.0434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5771 12.3214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5987 12.0651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0929 12.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0654 12.6631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6132 12.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6963 11.8828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8618 12.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0815 13.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0439 12.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1406 13.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5594 11.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8973 11.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1189 11.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4487 13.9173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4761 14.1953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4977 13.9390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9919 14.8149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9644 14.5371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5122 14.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5953 13.7567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7609 14.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4483 14.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9429 14.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0397 15.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4584 13.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7963 13.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0179 13.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1963 13.5108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4951 14.0398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8715 12.6947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0080 11.8271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3065 12.3559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3877 11.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 14.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2582 12.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5578 11.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6312 13.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7562 14.2349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0607 14.9693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0881 15.2467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0986 16.2582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7942 15.5239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5378 15.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9401 14.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 15.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3788 16.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7668 15.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1722 16.0153 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 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 109108 1 1 0 0 0 108110 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 109117 1 0 0 0 0 101108 1 0 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 121120 1 1 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 122127 1 0 0 0 0 118127 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 123128 1 0 0 0 0 102118 1 0 0 0 0 80 76 1 0 0 0 0 M END > LMISSP0502BI04 > > Fucalpha2-3(Galbeta1-4)GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C86H155N3O37 > 1822.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260439 > - > - > Active (generated by computational methods) > - $$$$