Accord 08271317192D 172182 0 0 0 0 0 0 0 0999 V2000 24.5902 6.5274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1833 6.7615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7764 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8254 6.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3549 6.1204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9972 6.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9287 5.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9287 5.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5219 6.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4048 7.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9565 7.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1120 5.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7019 6.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2918 5.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8817 6.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4716 5.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3661 6.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9560 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5458 6.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1357 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7256 6.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3156 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9054 6.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4953 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4716 5.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4953 6.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0459 5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5966 6.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1472 5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6978 6.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2485 5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0262 5.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5807 5.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1353 5.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6899 5.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2444 5.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7990 5.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3536 5.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9081 5.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6279 7.8741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1049 8.0236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5788 7.8858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3068 8.3568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8298 8.2074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5866 8.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1691 7.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1826 7.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0145 8.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3560 8.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8702 8.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6424 8.0449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1194 8.1944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5933 8.0566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3213 8.5276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8442 8.3782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6010 8.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1835 7.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1971 8.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3152 8.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3704 8.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8847 8.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6532 7.6762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1303 7.8257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6041 7.6879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3321 8.1589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8551 8.0095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6119 8.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1944 7.5899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2079 7.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0398 7.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3813 8.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8956 8.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1208 7.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3025 7.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8839 7.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6677 7.8470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1447 7.9965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6186 7.8587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3466 8.3297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8695 8.1803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6264 8.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2088 7.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2224 7.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3405 8.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3957 8.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9100 8.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6785 7.4783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1556 7.6278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6294 7.4900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3574 7.9610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8804 7.8116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6372 7.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2197 7.3919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2332 7.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0651 7.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4066 7.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9209 8.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1461 7.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3278 7.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9092 7.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6930 7.6491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1700 7.7986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6439 7.6608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3719 8.1318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8948 7.9824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6517 8.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2341 7.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2477 7.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3658 8.4382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4211 8.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9353 8.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7038 7.2804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1809 7.4299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6547 7.2921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3828 7.7631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9057 7.6137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6625 7.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2450 7.1940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2585 7.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0904 7.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4319 7.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9462 7.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1714 7.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3531 6.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9345 7.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7183 7.4512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1953 7.6007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6692 7.4629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3972 7.9339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9202 7.7845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6770 7.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2595 7.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2730 7.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3911 8.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4464 7.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9606 8.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7291 7.0825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2062 7.2320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6800 7.0942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4081 7.5652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9310 7.4158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6878 7.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2703 6.9961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2838 7.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1157 7.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4572 7.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9715 7.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1967 6.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3784 6.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9598 6.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7436 7.2533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2207 7.4028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6945 7.2650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4225 7.7360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9455 7.5866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7023 7.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2848 7.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2983 7.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4164 8.0424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4717 7.7244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9859 7.9175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8006 7.3410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8055 6.8687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3513 6.7392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9279 6.3380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0215 6.8685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8017 6.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0547 7.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2672 6.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0868 6.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4757 6.9981 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 109113 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 121127 1 0 0 0 0 138139 1 1 0 0 0 140139 1 1 0 0 0 141140 1 1 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 142147 1 0 0 0 0 138147 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 149150 1 0 0 0 0 149151 2 0 0 0 0 134138 1 0 0 0 0 152153 1 1 0 0 0 154153 1 1 0 0 0 155154 1 1 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 156161 1 0 0 0 0 152161 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 157162 1 0 0 0 0 146152 1 0 0 0 0 163164 1 1 0 0 0 164165 1 1 0 0 0 166165 1 1 0 0 0 166167 1 0 0 0 0 167168 1 0 0 0 0 167172 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 166171 1 0 0 0 0 163172 1 0 0 0 0 120163 1 0 0 0 0 M END > LMISSP0505CD01 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C108H189N5O57 > 2468.20 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261412 > - > - > Active (generated by computational methods) > - $$$$