Accord 08271317192D 114119 0 0 0 0 0 0 0 0999 V2000 22.1055 7.7437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3771 8.1630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6485 7.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5267 7.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6844 7.0151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8343 8.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9213 6.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9213 5.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1929 7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7737 8.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9710 8.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4590 6.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7247 7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9905 6.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2562 7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5220 6.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9139 8.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1796 7.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4453 8.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7111 7.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9767 8.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2426 7.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5082 8.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 7.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5220 5.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 7.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9694 6.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1649 7.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3603 6.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5557 7.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7512 6.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7245 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9270 5.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1295 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3319 5.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5344 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7369 5.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9394 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1419 5.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3444 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5469 5.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7493 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9518 5.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1543 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3568 5.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8393 10.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1731 10.1549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2368 10.4226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2948 10.1758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8078 11.0191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7441 10.7516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3087 11.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3516 10.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5854 10.3659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2844 10.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6862 10.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8166 11.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6181 10.4607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6818 10.7284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7398 10.4816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2529 11.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1892 11.0574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7538 11.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7966 10.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0304 10.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2419 11.8735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1313 11.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2616 11.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0567 9.8005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1204 10.0683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1784 9.8215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6915 10.6648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6277 10.3973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1923 10.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2352 9.6460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4690 10.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1680 10.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5699 10.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7002 10.9897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1034 9.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4287 9.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6793 9.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5018 10.1064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5655 10.3741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6235 10.1273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1365 10.9706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0728 10.7031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6374 10.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6803 9.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9141 10.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1255 11.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0149 10.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1453 11.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0941 10.4199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3272 9.8198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9731 8.9126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0047 9.0143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7714 9.6146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3121 9.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7363 9.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4023 8.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1257 10.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3347 10.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6491 9.9091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6579 9.0635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8447 8.8316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0867 8.1133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2542 9.0632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8606 8.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1041 9.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6942 8.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3712 7.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0674 9.2952 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 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 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 90 94 1 0 0 0 0 105106 1 1 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 109114 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 105114 1 0 0 0 0 76105 1 0 0 0 0 M END > LMISSP0505CV04 > > Galalpha1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C78H142N2O32 > 1618.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261551 > - > - > Active (generated by computational methods) > - $$$$