Accord 08271317182D 84 87 0 0 0 0 0 0 0 0999 V2000 17.8041 7.2369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0800 7.6539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3557 7.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2226 6.5128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3855 6.5128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5285 7.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6270 6.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6270 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9029 6.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4742 8.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6764 8.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1735 6.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4436 6.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7137 6.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9839 6.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2540 6.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5241 6.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7943 6.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0644 6.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3345 6.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6047 6.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8748 6.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 6.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4151 6.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6852 6.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6255 7.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8956 7.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1658 7.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4359 7.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7060 7.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9762 7.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2463 7.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 7.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7866 7.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0567 7.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3268 7.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5970 7.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8672 7.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1374 7.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5332 9.8880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8710 9.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9404 9.8994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0040 9.6541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5199 10.4924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4506 10.2265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0178 10.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0545 9.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2989 9.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9997 10.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3871 10.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5226 10.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3374 9.9373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4068 10.2034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4704 9.9581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9864 10.7964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9170 10.5305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4842 10.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5209 9.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7653 10.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9755 11.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8535 10.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9891 11.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4661 12.0548 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5354 12.3209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5990 12.0756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1150 12.9138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0457 12.6479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6129 12.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6495 11.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8939 12.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1041 13.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9821 12.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1177 13.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0789 12.3664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3165 11.7699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9646 10.8682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0020 10.9693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7641 11.5660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3076 11.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7232 11.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 10.4088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1162 12.4677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 11.9703 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 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 70 74 1 0 0 0 0 M END > LMISSP0502AL01 > > Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C58H107NO23 > 1185.72 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260252 > - > - > Active (generated by computational methods) > - $$$$