Accord 08271317192D 112117 0 0 0 0 0 0 0 0999 V2000 24.3205 7.0789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6458 7.4674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9708 7.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9304 6.4041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2236 6.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2236 5.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5489 6.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0131 8.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2697 8.1185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8692 6.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1890 6.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5089 6.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8288 6.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1486 6.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4685 6.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7884 6.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1082 6.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4281 6.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7480 6.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0678 6.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3877 6.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7076 6.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0274 6.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2904 7.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6103 7.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9301 7.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2500 7.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5699 7.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8897 7.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2096 7.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5295 7.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8493 7.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1692 7.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4891 7.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8089 7.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1289 7.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4488 7.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3829 9.3120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5157 9.5599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6431 9.3313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1920 10.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0593 9.8647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6560 10.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6220 9.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9860 9.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7072 9.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9320 10.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1264 10.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0901 9.5953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2228 9.8432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3503 9.6146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8992 10.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7665 10.1480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3632 10.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3292 9.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6932 9.7907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8891 10.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6391 10.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8336 10.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7913 8.9838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9240 9.2318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0515 9.0031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6004 9.7843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4677 9.5365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0644 9.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0304 8.8406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3944 9.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1156 9.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3403 9.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5348 10.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9083 8.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2096 8.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5154 8.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4925 8.3723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6253 8.6203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7527 8.3916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3016 9.1728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1689 8.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7656 9.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7316 8.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0956 8.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2915 9.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0416 9.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2360 9.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1937 7.7608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3265 8.0088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4539 7.7802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0028 8.5613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8701 8.3135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4668 8.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4328 7.6176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7968 7.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5180 8.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7428 8.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9372 8.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3107 7.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6120 7.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9179 7.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9009 8.0441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0336 8.2921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1611 8.0634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7100 8.8446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5773 8.5968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1740 8.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1400 7.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 8.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6999 9.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 8.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6444 9.1455 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 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 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 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 M END > LMISSP0504BR01 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C74H133N3O33 > 1591.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260948 > - > - > Active (generated by computational methods) > - $$$$