Accord 08271317192D 179189 0 0 0 0 0 0 0 0999 V2000 24.3223 7.4533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6686 7.8296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0148 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7002 6.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9444 6.7996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9762 7.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2596 6.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2596 5.6572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6060 6.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0245 8.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3042 8.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9475 6.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2887 6.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6298 6.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9708 6.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3121 6.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3557 7.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6968 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0379 7.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3790 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7201 7.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0614 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4024 7.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7436 7.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3121 5.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7436 6.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0215 6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2997 6.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5777 6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8558 6.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1339 6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5964 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8809 5.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1652 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4496 5.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7340 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0184 5.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3027 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5871 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8715 5.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1558 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4403 5.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7246 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0090 5.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2933 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 5.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8621 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4022 10.0811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5620 10.3212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7166 10.0998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2797 10.8566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1198 10.6165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7291 10.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6651 9.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0801 10.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8100 10.5855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9654 10.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1849 11.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2122 10.3555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3719 10.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5266 10.3743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0895 11.1310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9298 10.8910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5391 11.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4749 10.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8900 10.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0798 11.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7752 11.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9948 11.4225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0162 9.7631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1761 10.0034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3307 9.7819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8937 10.5386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7338 10.2986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3431 10.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2791 9.6244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6941 9.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4240 10.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5794 10.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7990 10.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1607 9.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4526 9.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7802 9.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8262 10.0375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9860 10.2778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1406 10.0563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7036 10.8130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5438 10.5730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1531 10.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0889 9.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5040 10.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6938 11.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3892 10.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6088 11.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6303 9.4451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7901 9.6854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9447 9.4638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5077 10.2206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3479 9.9806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9572 10.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8931 9.3064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3081 9.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0380 9.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1934 10.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4130 10.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7747 9.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0666 8.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3942 9.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4402 9.7196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6000 9.9598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7545 9.7383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3176 10.4951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1578 10.2551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7671 10.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7030 9.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 9.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3078 10.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0033 10.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2228 10.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2430 9.5809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8636 8.9237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1296 9.1161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2161 8.9075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7792 9.5646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2917 9.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4164 9.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 8.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2161 8.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5135 9.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0109 11.6565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4101 12.2909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5698 12.5307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5789 13.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1798 12.7701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9583 13.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3059 11.9123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1087 13.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0365 13.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0201 12.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5064 13.1946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1102 11.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2550 11.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7826 12.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4386 13.1802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8378 13.8147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9973 14.0543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0064 14.9282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6074 14.2939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3859 14.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7335 13.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5363 14.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2486 15.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4478 14.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9341 14.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8005 14.6173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9602 14.8575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1149 14.6360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6779 15.3929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5182 15.1527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1274 15.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0633 14.4786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4783 14.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 15.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3636 15.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 15.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9449 14.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2369 14.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5643 14.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2737 13.4362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2815 12.6773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5518 12.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8717 11.8247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0219 12.6770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6688 12.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6819 13.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 11.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1268 11.3931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7517 12.8852 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 2 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 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 116121 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 142143 1 0 0 0 0 142144 2 0 0 0 0 95131 1 0 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 148147 1 1 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149154 1 0 0 0 0 145154 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 150155 1 0 0 0 0 139145 1 0 0 0 0 156157 1 1 0 0 0 158157 1 1 0 0 0 159158 1 1 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 160165 1 0 0 0 0 156165 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 167168 1 0 0 0 0 167169 2 0 0 0 0 152156 1 0 0 0 0 170171 1 1 0 0 0 171172 1 1 0 0 0 173172 1 1 0 0 0 173174 1 0 0 0 0 174175 1 0 0 0 0 174179 1 0 0 0 0 171176 1 0 0 0 0 172177 1 0 0 0 0 173178 1 0 0 0 0 170179 1 0 0 0 0 151170 1 0 0 0 0 6 48 1 0 0 0 0 M END > LMISSP0505CQ07 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C116H203N5O56 > 2562.32 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261514 > - > - > Active (generated by computational methods) > - $$$$