Accord 08271317182D 106110 0 0 0 0 0 0 0 0999 V2000 23.1580 7.2591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4259 7.6808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6935 7.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5812 6.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7347 6.5270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8905 7.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9677 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9677 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2357 6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8245 8.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0178 8.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4980 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7600 6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0220 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2840 6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5461 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8080 6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0701 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3320 6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5941 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8560 6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1180 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3800 6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6420 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9041 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1660 6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4281 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6900 6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9521 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4761 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9552 7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2172 7.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4791 7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7412 7.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0031 7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2652 7.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5272 7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7892 7.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0512 7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3132 7.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5752 7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8371 7.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0992 7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3611 7.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8958 9.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2258 9.6836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2843 9.9528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3371 9.7046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8474 10.5526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7889 10.2836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3511 10.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3998 9.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6238 9.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3211 10.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7363 10.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8618 10.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6511 9.9911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7097 10.2604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7624 10.0122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2727 10.8602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2142 10.5912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7764 10.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8251 9.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0491 10.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2617 11.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1616 10.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2871 11.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7464 12.1332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8049 12.4024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8576 12.1543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3680 13.0023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3094 12.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8716 12.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9203 11.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1443 12.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3569 13.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2568 12.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3823 13.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1652 11.4694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2237 11.7386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2764 11.4904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7868 12.3384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7283 12.0694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2904 12.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3391 11.3140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5631 11.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7757 12.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6756 12.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8011 12.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2066 11.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5337 10.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7801 11.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5840 10.8056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6425 11.0748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6952 10.8266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2056 11.6746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1471 11.4056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7093 11.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7579 10.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9819 11.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1946 12.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0944 11.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2199 12.0013 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 2 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 89 96 1 0 0 0 0 M END > LMISSP0502AE07 > > Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C74H134N2O28 > 1498.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260202 > - > - > Active (generated by computational methods) > - $$$$