Accord 08271317182D 130137 0 0 0 0 0 0 0 0999 V2000 24.3797 8.8234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7638 9.1781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1476 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7358 8.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0236 8.2075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9959 9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3784 7.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3784 7.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7625 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0991 9.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4204 9.7725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1420 7.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5211 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9002 7.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2794 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6585 7.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0376 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4168 7.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7959 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1750 7.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5542 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9333 7.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3124 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6916 7.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0707 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4498 7.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8290 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5265 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9056 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2848 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6639 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0430 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4222 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8013 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1804 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5596 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9387 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3178 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6970 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0762 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4553 8.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4367 10.8619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6450 11.0883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8485 10.8796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4367 11.5927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2284 11.3665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8602 11.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7421 10.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2487 11.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9941 11.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0250 11.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2897 11.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4308 11.1205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6391 11.3469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8426 11.1382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4308 11.8513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2225 11.6251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8544 11.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7362 10.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2428 11.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4216 12.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0191 11.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2838 12.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9882 12.9218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.1966 13.1482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4000 12.9395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9883 13.6525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7800 13.4263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4118 13.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2936 12.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8002 13.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9790 14.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5766 13.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8412 13.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1069 13.1869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4584 12.6795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1590 11.9124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3401 11.9984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9885 12.5060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6001 12.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8043 12.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6764 11.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9594 12.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2880 13.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6192 12.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9831 11.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3346 11.1009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0352 10.3338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2163 10.4198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8647 10.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4763 10.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6805 10.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5526 9.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8356 10.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1642 11.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4954 11.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8593 10.0297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2108 9.5223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9114 8.7552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0925 8.8412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7409 9.3488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3525 9.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5567 9.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4288 8.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7118 9.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0404 10.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3716 9.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7355 8.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0870 7.9437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7876 7.1766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9687 7.2626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6171 7.7702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2287 7.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4329 7.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3050 6.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5880 7.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9166 8.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2478 8.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6117 6.8725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9631 6.3651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6638 5.5980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8449 5.6840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4932 6.1916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1049 6.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3091 6.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 5.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4642 5.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7928 6.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1240 6.5355 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 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 72 76 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 83 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 94 98 1 0 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 109118 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 114119 1 0 0 0 0 105109 1 0 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 123122 1 1 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 124129 1 0 0 0 0 120129 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 125130 1 0 0 0 0 116120 1 0 0 0 0 M END > LMSP0502AY02 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C84H151NO43 > 1861.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260357 > - > - > Active (generated by computational methods) > - $$$$