Accord 08271317182D 76 78 0 0 0 0 0 0 0 0999 V2000 17.2105 7.2519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4809 7.6721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7511 7.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6322 6.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7887 6.5224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9403 7.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0245 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0245 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2949 6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8781 8.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0742 8.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5600 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8246 6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0892 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3538 6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6184 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8831 6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1477 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4123 6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6769 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9415 6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2061 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7354 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0154 7.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2800 7.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5447 7.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8093 7.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0739 7.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3385 7.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6031 7.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8677 7.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1324 7.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3970 7.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6616 7.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9262 7.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 7.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4556 7.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9451 9.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2779 9.6665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3402 9.9346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3968 9.6874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9091 10.5320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8468 10.2641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4107 10.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4552 9.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6863 9.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3848 10.2294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7903 10.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9193 10.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7176 9.9728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7799 10.2409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8365 9.9937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3488 10.8383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2865 10.5704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8504 10.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8949 9.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1260 10.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3378 11.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2300 10.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3591 11.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1509 9.3116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2131 9.5797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2697 9.3325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7820 10.1771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7197 9.9092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2837 10.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3281 9.1568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5593 9.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2578 9.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6633 10.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7923 10.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1961 8.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5219 8.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7713 8.9510 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 M END > LMISSP0504AA01 > > GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C54H100N2O18 > 1064.70 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260612 > - > - > Active (generated by computational methods) > - $$$$