Accord 08271317192D 172182 0 0 0 0 0 0 0 0999 V2000 24.4167 7.1740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8377 7.5073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2585 7.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7515 6.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0820 6.5949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4754 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4754 5.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8964 6.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1529 8.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5149 8.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3131 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7294 6.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1457 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5621 6.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9785 6.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6746 7.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0910 7.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5073 7.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9237 7.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3399 7.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7564 7.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1727 7.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5890 7.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9785 5.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5890 6.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9495 6.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3100 6.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6704 6.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0309 6.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3914 6.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3446 5.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7106 5.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0767 5.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4428 5.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8089 5.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1749 5.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5410 5.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9071 5.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2731 5.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6392 5.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0053 5.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3713 5.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4704 9.0906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7262 9.3034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9774 9.1072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5903 9.7776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3346 9.5649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9885 9.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8174 8.9678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4135 9.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1742 9.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0834 9.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3922 10.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6447 9.3337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9004 9.5465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1516 9.3503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7646 10.0207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5088 9.8081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1627 10.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9917 9.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5878 9.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7558 10.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2577 10.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5664 10.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8138 8.8090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0695 9.0218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3207 8.8256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9337 9.4959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6779 9.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3318 9.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1608 8.6861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7569 8.9767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5176 9.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4268 9.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7355 9.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 8.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3146 8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7189 8.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9880 9.0521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2438 9.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4950 9.0687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1079 9.7390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8521 9.5264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5061 9.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3350 8.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9311 9.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0992 10.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 9.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9097 9.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1571 8.5273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4129 8.7401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6641 8.5439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2770 9.2143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0213 9.0016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6752 9.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5041 8.4045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1002 8.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8609 8.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7701 9.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0789 9.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3994 8.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6580 8.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0622 8.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3314 8.7704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5871 8.9832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8383 8.7871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4513 9.4574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1955 9.2448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8494 9.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6784 8.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2745 8.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4425 9.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9444 9.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 9.7157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2710 8.6476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9349 8.0655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2846 8.2358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4755 8.0510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9744 8.6332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5425 8.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4245 8.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9446 7.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4755 7.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6247 8.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6227 9.0197 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8738 8.8240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3291 8.2739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6547 8.6539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4036 8.8497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0039 8.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1232 8.5815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7669 8.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4252 9.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9484 9.3997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2134 9.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3802 10.4861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8479 11.0481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1035 11.2604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1116 12.0345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6439 11.4726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4477 11.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7556 10.7128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6951 11.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6312 12.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3883 11.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9332 11.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5823 10.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7105 10.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2921 10.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1016 11.8359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5693 12.3979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8249 12.6102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8330 13.3842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3653 12.8223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1691 13.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4770 12.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4165 13.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0474 13.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1097 12.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6546 13.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0697 12.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7335 11.4804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0833 11.6508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2741 11.4660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7731 12.0482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3412 11.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2232 11.6117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7432 11.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 11.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4234 11.8779 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 6 44 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 113127 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 91138 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 158163 1 0 0 0 0 M END > LMISSP0505EB03 > > Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C110H194N4O56 > 2467.25 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261742 > - > - > Active (generated by computational methods) > - $$$$