Accord 08271317182D 114119 0 0 0 0 0 0 0 0999 V2000 22.0755 7.3121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3241 7.7449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5723 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5099 6.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6411 6.5607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8273 7.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8539 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8539 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1025 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7332 8.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9052 8.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3454 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5880 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8305 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0730 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3156 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5581 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8007 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0432 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2857 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5283 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7708 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0133 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2559 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4984 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7409 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9835 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8146 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0571 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2996 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5422 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7847 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0272 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2698 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5123 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7549 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9974 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2399 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4825 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7251 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9676 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8323 10.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1450 9.7992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1791 10.0753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2074 9.8207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7050 10.6907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6709 10.4147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2217 10.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2976 9.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4756 10.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1651 10.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6428 10.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7456 11.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4778 10.1147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5119 10.3908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5402 10.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0378 11.0062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0037 10.7302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5545 10.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6304 9.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8084 10.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0265 11.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9756 10.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0784 11.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3393 11.3077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3734 11.5839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4016 11.3293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8993 12.1993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8651 11.9233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4160 12.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4918 11.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6698 11.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8880 12.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8370 12.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9399 12.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3558 10.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6914 10.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9183 10.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8039 9.4336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8320 9.1797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1251 8.4659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2499 8.9590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2218 9.2131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7031 9.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1557 8.8650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3955 8.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9438 8.4158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9288 9.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9750 9.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1466 8.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5578 8.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7700 8.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2565 8.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5658 8.8808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5997 9.1563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6102 10.1609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3010 9.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0464 9.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 8.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0697 9.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8885 10.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2671 9.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6765 9.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2238 9.8034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2580 10.0796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2862 9.8249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7838 10.6949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7497 10.4190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3006 10.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3764 9.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7725 11.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7216 10.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8245 11.0301 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 3 28 2 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 62 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 90 91 1 0 0 0 0 90 92 2 0 0 0 0 61 79 1 0 0 0 0 93 94 1 1 0 0 0 95 94 1 1 0 0 0 96 95 1 1 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 97102 1 0 0 0 0 93102 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 98103 1 0 0 0 0 87 93 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 100104 1 0 0 0 0 M END > LMISSP0503AP02 > > GalNAcbeta1-4(Galalpha1-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O33 > 1619.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260605 > - > - > Active (generated by computational methods) > - $$$$