Accord 08271317192D 167176 0 0 0 0 0 0 0 0999 V2000 24.3415 7.4533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6878 7.8296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0339 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7195 6.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9636 6.7995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2788 6.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2788 5.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6251 6.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0437 8.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3234 8.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9665 6.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3076 6.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6487 6.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9897 6.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3309 6.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3747 7.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7158 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0569 7.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3979 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7389 7.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0801 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4211 7.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7622 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3309 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7622 6.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0401 6.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3182 6.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5962 6.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8741 6.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1522 6.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6152 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8995 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1838 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4681 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7524 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0367 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3211 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6054 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8897 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1740 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4583 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7426 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0269 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3112 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4021 9.6171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5619 9.8573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7165 9.6359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2795 10.3927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1198 10.1526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7290 10.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6649 9.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0799 9.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8098 10.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9652 10.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1848 10.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2119 9.8916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3717 10.1318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5263 9.9103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0893 10.6671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9296 10.4271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5388 10.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4747 9.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8897 10.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0795 11.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7750 10.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9946 10.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0159 9.2991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1757 9.5394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3303 9.3179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8933 10.0747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7336 9.8346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3428 10.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2787 9.1604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6937 9.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4236 9.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5790 10.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7986 10.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1604 8.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4524 8.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7798 8.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8257 9.5736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9855 9.8138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1401 9.5924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7031 10.3492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5434 10.1091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1526 10.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0885 9.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5035 9.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6933 10.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3888 10.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6084 10.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6297 8.9812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7895 9.2214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9441 8.9999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5071 9.7567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3474 9.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9566 9.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8925 8.8424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3076 9.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0374 9.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1928 9.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4124 10.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7743 8.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0662 8.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3936 8.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4395 9.2556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5993 9.4959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7539 9.2744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3169 10.0312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1572 9.7911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7664 10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7023 9.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1174 9.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 10.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0026 10.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2222 10.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2424 9.1169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8629 8.4597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1288 8.6521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2153 8.4434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7786 9.1007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2910 8.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4157 8.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7449 8.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2153 7.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5128 8.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0105 11.1926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4096 11.8271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5692 12.0668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5783 12.9407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1793 12.3063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9578 12.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3054 11.4485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1081 12.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0359 12.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0197 12.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5059 12.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1097 11.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2545 11.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7821 11.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4381 12.7164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8372 13.3509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9968 13.5906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0059 14.4645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6069 13.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3854 14.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7330 12.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5357 14.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 14.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4473 13.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9335 14.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 14.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9596 14.3937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1142 14.1723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6772 14.9291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5175 14.6890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1267 14.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0626 14.0148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 14.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6674 15.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3629 14.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5825 15.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9443 13.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2363 13.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5637 13.8304 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 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 114119 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 140141 1 0 0 0 0 140142 2 0 0 0 0 93129 1 0 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 146145 1 1 0 0 0 146147 1 0 0 0 0 147148 1 0 0 0 0 147152 1 0 0 0 0 143152 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 148153 1 0 0 0 0 137143 1 0 0 0 0 154155 1 1 0 0 0 156155 1 1 0 0 0 157156 1 1 0 0 0 157158 1 0 0 0 0 158159 1 0 0 0 0 158163 1 0 0 0 0 154163 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 165166 1 0 0 0 0 165167 2 0 0 0 0 150154 1 0 0 0 0 M END > LMISSP0505EG04 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C108H191N5O52 > 2390.25 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261783 > - > - > Active (generated by computational methods) > - $$$$