Accord 08271317182D 94 97 0 0 0 0 0 0 0 0999 V2000 24.2551 7.2204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5371 7.6338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8188 7.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6702 6.5024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8400 6.5024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9734 7.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0878 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0878 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3698 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9280 8.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1368 8.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6465 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9227 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1990 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4752 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7515 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0276 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3038 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5801 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8563 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1326 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4088 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6851 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9613 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2376 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5138 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7901 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0663 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3425 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6188 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8950 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1713 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4475 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7238 6.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0948 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3710 7.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6472 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9235 7.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1997 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4760 7.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7522 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0285 7.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3047 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5810 7.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8572 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1334 7.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4097 7.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6859 7.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9790 9.8520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3217 9.5992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3980 9.8633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4687 9.6198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9882 10.4518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9120 10.1879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4824 10.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5113 9.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7688 9.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4718 10.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8414 10.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9834 10.7724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8146 9.9010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8908 10.1651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9615 9.9216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4811 10.7536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4048 10.4897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9752 10.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0041 9.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2616 10.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4702 11.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3343 10.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4763 11.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9647 12.0026 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.0409 12.2667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1116 12.0232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6311 12.8552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5549 12.5913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1253 12.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1542 11.8501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4117 12.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6203 13.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4843 12.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6264 13.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4511 11.3513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5274 11.6154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5980 11.3719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1176 12.2039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0413 11.9400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6118 12.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6406 11.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8982 11.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1068 12.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9708 12.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1128 12.5245 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 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 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 70 73 1 0 0 0 0 84 85 1 1 0 0 0 86 85 1 1 0 0 0 87 86 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 84 93 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 89 94 1 0 0 0 0 80 84 1 0 0 0 0 M END > LMISSP0502AO06 > > Galbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C68H127NO23 > 1325.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260281 > - > - > Active (generated by computational methods) > - $$$$