Accord 08271317182D 98102 0 0 0 0 0 0 0 0999 V2000 21.1476 7.2722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4107 7.6965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6735 7.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5735 6.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7215 6.5353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8848 7.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9496 6.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9496 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2127 6.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8118 8.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9999 8.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4703 6.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7275 6.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9847 6.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2419 6.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4991 6.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7563 6.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0135 6.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2707 6.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5279 6.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7851 6.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0423 6.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2995 6.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5567 6.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8139 6.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9303 7.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1875 7.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4447 7.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7019 7.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9591 7.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2163 7.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4735 7.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7307 7.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9879 7.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2451 7.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5023 7.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7595 7.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0168 7.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2740 7.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8896 9.9703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2157 9.7111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2685 9.9819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3155 9.7322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8229 10.5853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7701 10.3147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3296 10.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3846 9.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5979 9.9245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2934 10.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7232 10.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8434 10.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6194 10.0205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6723 10.2913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7193 10.0416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2267 10.8947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1739 10.6241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7334 10.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7884 9.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0017 10.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2156 11.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1269 10.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2472 11.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6972 12.1755 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7500 12.4463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7970 12.1966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3044 13.0497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2516 12.7791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8111 13.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8661 12.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0794 12.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2933 13.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2047 13.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3249 13.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0944 11.5076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1473 11.7784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1943 11.5288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7017 12.3819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6488 12.1113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2084 12.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2634 11.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4767 11.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6906 12.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6019 12.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7221 12.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1300 11.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4591 10.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7010 11.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1721 13.5278 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2250 13.7986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2720 13.5490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7794 14.4021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7266 14.1315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2861 14.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3411 13.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 13.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7683 14.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6796 14.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7999 14.7308 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 3 26 2 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 31 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 82 88 1 0 0 0 0 M END > LMISSP0502BA01 > > Galalpha1-4GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C66H120N2O28 > 1388.80 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260372 > - > - > Active (generated by computational methods) > - $$$$