Accord 08271317192D 175185 0 0 0 0 0 0 0 0999 V2000 24.3434 7.4528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6897 7.8290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0358 7.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7213 6.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9654 6.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9973 7.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2807 6.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2807 5.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6270 6.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0455 8.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3253 8.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9684 6.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3094 6.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6505 6.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9915 6.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3327 6.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3766 7.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7176 7.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0587 7.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3997 7.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7407 7.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0820 7.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4229 7.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7640 7.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3327 5.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7640 6.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0420 6.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3201 6.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5980 6.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8760 6.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1540 6.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6170 5.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9013 5.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1857 5.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4700 5.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7543 5.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0386 5.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3228 5.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6072 5.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8915 5.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1758 5.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4601 5.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7445 5.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4021 9.9325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5618 10.1727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7164 9.9513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2794 10.7081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1196 10.4680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7289 10.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6649 9.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0798 10.1219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8097 10.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9652 10.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1847 10.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2117 10.2069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3714 10.4473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5260 10.2258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0890 10.9826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9293 10.7425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5385 10.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4744 10.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8895 10.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0792 11.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7747 10.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9943 11.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0155 9.6145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1753 9.8549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3299 9.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8928 10.3901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7330 10.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3423 10.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2783 9.4758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6932 9.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4231 10.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5786 10.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7982 10.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1600 9.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4519 9.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7794 9.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8251 9.8890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9849 10.1293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1395 9.9077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7025 10.6645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5427 10.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1520 10.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0878 9.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5029 10.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6926 11.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3882 10.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6077 10.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6290 9.2965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7887 9.5368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9433 9.3153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5062 10.0721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3466 9.8320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9558 10.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 9.1578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3067 9.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0365 9.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1921 10.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4116 10.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7734 8.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0654 8.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3928 8.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4387 9.5710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5984 9.8113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7529 9.5898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3159 10.3467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1562 10.1065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7654 10.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7014 9.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1163 9.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3061 10.8389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0018 10.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2212 10.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2414 9.4323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8619 8.7751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1278 8.9674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2142 8.7588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7775 9.4161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2899 9.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4148 8.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7439 8.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2142 8.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5117 9.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0098 11.5082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4090 12.1426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5685 12.3823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5776 13.2563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1786 12.6218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9571 13.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3048 11.7639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1074 12.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0352 13.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0191 12.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5053 13.0463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1090 11.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2537 11.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7813 11.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4372 13.0319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8364 13.6665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9959 13.9062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0050 14.7801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6060 14.1457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3845 14.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7321 13.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5348 14.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2471 15.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4464 13.9059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9327 14.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7990 14.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9586 14.7094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1132 14.4879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6761 15.2447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5165 15.0047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1257 15.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0616 14.3304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4765 14.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 15.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3620 15.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5814 15.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9433 14.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2352 13.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5627 14.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2723 13.2879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2801 12.5290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5503 12.3209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8701 11.6762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0203 12.5287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6672 12.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6805 12.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4152 11.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1253 11.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7502 12.7370 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 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 112117 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 133138 1 0 0 0 0 138139 1 0 0 0 0 138140 2 0 0 0 0 91127 1 0 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 141150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 146151 1 0 0 0 0 135141 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 158163 1 0 0 0 0 163164 1 0 0 0 0 163165 2 0 0 0 0 148152 1 0 0 0 0 166167 1 1 0 0 0 167168 1 1 0 0 0 169168 1 1 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 170175 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 166175 1 0 0 0 0 147166 1 0 0 0 0 6 44 1 0 0 0 0 M END > LMISSP0505CQ03 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C112H197N5O56 > 2508.27 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261510 > - > - > Active (generated by computational methods) > - $$$$