Accord 08271317182D 77 79 0 0 0 0 0 0 0 0999 V2000 19.9176 7.2210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1993 7.6346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4808 7.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3327 6.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5024 6.5028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6361 7.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7499 6.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7499 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0317 6.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5903 8.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7990 8.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3080 6.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5840 6.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8601 6.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1360 6.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4120 6.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6880 6.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9640 6.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2400 6.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5160 6.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7919 6.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0680 6.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3440 6.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 6.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8959 6.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 6.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4480 6.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7239 6.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7565 7.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0325 7.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3085 7.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5845 7.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8605 7.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1365 7.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4125 7.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6885 7.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9644 7.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2405 7.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5165 7.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7924 7.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0685 7.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 7.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6412 9.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9841 9.5991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0606 9.8631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1314 9.6197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6511 10.4515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5746 10.1876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1452 10.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1738 9.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4318 9.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1349 10.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5039 10.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6461 10.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4777 9.9007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5543 10.1648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6251 9.9214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1448 10.7531 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0683 10.4893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6389 10.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6675 9.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9254 10.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1340 11.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9976 10.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1398 11.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6285 12.0019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7050 12.2659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7759 12.0225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2956 12.8543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2191 12.5904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7896 12.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8183 11.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0762 12.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2848 13.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1483 12.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2906 13.1747 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 M END > LMISSP0502AA03 > > Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C56H105NO18 > 1079.73 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260166 > - > - > Active (generated by computational methods) > - $$$$