Accord 08271317182D 79 81 0 0 0 0 0 0 0 0999 V2000 21.3599 7.2203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6418 7.6338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9236 7.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7749 6.5023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9448 6.5023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0782 7.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1926 6.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1926 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4746 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0328 8.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2417 8.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7512 6.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0274 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3037 6.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5800 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8563 6.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1325 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4088 6.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6850 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9613 6.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5137 6.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0662 6.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3425 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6187 6.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8950 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1712 6.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4475 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7237 6.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1996 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4758 7.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7520 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0283 7.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3045 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5808 7.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8570 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1333 7.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4095 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6858 7.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9620 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2382 7.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5145 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7907 7.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0834 9.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4264 9.5980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5031 9.8620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5741 9.6186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0939 10.4502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0172 10.1864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5878 10.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6163 9.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8746 9.8061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5777 10.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9463 10.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0887 10.7706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9207 9.8996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9974 10.1636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0684 9.9202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5882 10.7518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5115 10.4880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0822 10.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1106 9.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3689 10.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5774 11.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4406 10.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5830 11.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0720 12.0003 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1487 12.2643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2197 12.0209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7395 12.8526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6628 12.5888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2335 12.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 11.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5202 12.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7287 13.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 12.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7343 13.1730 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 M END > LMSP0502AA04 > > Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C58H109NO18 > 1107.76 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260167 > - > - > Active (generated by computational methods) > - $$$$