Accord 08271317192D 116121 0 0 0 0 0 0 0 0999 V2000 24.3203 7.5391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6455 7.9276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9705 7.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9301 6.8643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2233 6.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2233 5.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5485 6.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0128 8.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2693 8.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8686 6.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1884 6.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5082 6.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8280 6.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1479 6.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2900 7.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6098 7.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9296 7.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2494 7.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5691 7.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8891 7.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2088 7.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5286 7.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1479 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5286 6.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7833 6.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0380 6.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2927 6.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 6.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8021 6.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4092 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6704 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9316 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1928 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4540 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7152 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9765 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2377 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4989 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7601 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0213 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2825 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3828 9.7728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5155 10.0208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6428 9.7921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1917 10.5734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0591 10.3256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6558 10.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6218 9.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9857 9.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7069 10.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9318 10.5541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1262 10.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0897 10.0561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2224 10.3041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3497 10.0755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8986 10.8567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7659 10.6089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3626 10.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3287 9.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6926 10.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8884 11.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6387 10.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8331 11.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7906 9.4445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9232 9.6925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0506 9.4639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5995 10.2451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4668 9.9973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0635 10.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0296 9.3014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3934 9.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1146 9.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3396 10.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5339 10.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9075 9.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2088 8.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5146 9.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4974 9.7279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6301 9.9759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7574 9.7472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3063 10.5285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1737 10.2806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7703 10.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7364 9.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1003 9.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2962 11.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0464 10.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2408 10.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1983 9.1163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3310 9.3643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4583 9.1357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0072 9.9169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8745 9.6691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4712 9.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4373 8.9731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8012 9.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5223 9.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7473 9.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 10.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3152 8.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6166 8.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9223 8.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9052 9.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0378 9.6476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1652 9.4190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7141 10.2002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5814 9.9524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1781 10.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1442 9.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5080 9.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7039 10.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 10.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 10.5012 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 M END > LMISSP0505AL03 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O33 > 1647.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261062 > - > - > Active (generated by computational methods) > - $$$$