Accord 08271317182D 112117 0 0 0 0 0 0 0 0999 V2000 22.5135 7.2752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7755 7.7001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0374 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9401 6.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0869 6.5372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2518 7.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3139 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3139 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5759 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1773 8.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3642 8.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8324 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0885 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3447 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6009 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8570 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1131 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3693 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6254 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8815 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1376 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3939 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6500 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9061 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1622 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4184 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6745 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9306 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1869 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2932 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5494 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8055 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0616 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3177 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5739 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8301 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0862 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3423 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5985 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8546 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1107 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3669 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6231 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2570 9.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5818 9.7184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6330 9.9897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6784 9.7396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1849 10.5942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1338 10.3231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6925 10.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7494 9.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9595 9.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6545 10.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0885 10.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2072 10.9235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9794 10.0283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0306 10.2996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0759 10.0495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5825 10.9041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5313 10.6330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0900 10.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1469 9.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3571 10.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5713 11.4600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4860 10.8831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6047 11.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0520 12.1871 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.1032 12.4584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1486 12.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6551 13.0629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6039 12.7918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1627 13.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2195 12.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4297 12.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6440 13.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5587 13.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6773 13.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4430 11.5181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4942 11.7894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5395 11.5393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0461 12.3939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9949 12.1228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5537 12.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6105 11.3615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8207 11.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0350 12.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9496 12.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0683 12.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4769 11.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8066 10.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0471 11.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8340 10.8491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8851 11.1204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9305 10.8703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4371 11.7249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3859 11.4538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9446 11.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0015 10.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2117 11.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4259 12.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 11.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4593 12.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4821 10.6925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0536 9.9503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2246 10.1675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1930 9.9320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8291 10.6742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2785 10.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6778 10.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 9.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 9.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6582 10.4571 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 3 30 2 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 74 78 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 85 92 1 0 0 0 0 103104 1 1 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 107112 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 103112 1 0 0 0 0 98103 1 0 0 0 0 M END > LMISSP0502AI03 > > Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C76H138N2O32 > 1590.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260230 > - > - > Active (generated by computational methods) > - $$$$