Accord 08271317192D 130136 0 0 0 0 0 0 0 0999 V2000 24.3203 7.5392 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 7.5392 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 5.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5485 6.8553 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 21.8687 6.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1885 6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5083 6.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8281 6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1480 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 7.5392 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 7.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5692 7.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8891 7.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2089 7.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5287 7.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1480 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5287 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 16.0381 6.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2928 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 13.8022 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 16.1929 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4541 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7153 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 12.4990 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7602 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0214 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2826 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5438 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8051 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0663 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3275 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0102 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 22.6429 9.7922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1918 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 23.6219 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 23.9319 10.5541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1262 10.8744 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 19.7660 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 18.8885 11.3649 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 9.4446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9233 9.6926 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 10.2452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4669 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 15.3935 9.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1146 9.9653 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 16.5340 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 17.2089 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 14.4975 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 12.7575 9.7473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3064 10.5285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1737 10.2807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7704 10.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7365 9.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1004 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 14.0465 10.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2409 10.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1984 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 9.4584 9.1357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0073 9.9169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8746 9.6691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4713 9.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4374 8.9732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8013 9.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 9.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7474 9.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9418 10.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3153 8.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6166 8.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9224 8.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9053 9.3997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0379 9.6477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1653 9.4190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7142 10.2002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5815 9.9524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1782 10.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1443 9.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5081 9.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7040 10.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4543 10.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6486 10.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6339 9.5451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6421 8.7618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8888 8.5469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1867 7.8816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3418 8.7615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9772 8.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0554 9.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7494 8.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4501 7.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0951 8.9765 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 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 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 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 78121 1 0 0 0 0 M END > LMSP0505AV05 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C88H159N3O37 > 1850.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261144 > - > - > Active (generated by computational methods) > - $$$$