Accord 08271317192D 174184 0 0 0 0 0 0 0 0999 V2000 24.4168 7.1742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8378 7.5075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2586 7.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7515 6.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0820 6.5952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4755 6.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4755 5.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8965 6.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1530 8.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5150 8.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3132 6.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7295 6.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1459 6.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5622 6.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9787 6.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6747 7.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0911 7.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5074 7.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9238 7.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3401 7.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7566 7.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1729 7.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5892 7.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9787 5.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5892 6.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9497 6.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3103 6.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6707 6.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0312 6.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3918 6.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3448 5.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7109 5.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0770 5.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4431 5.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8091 5.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1752 5.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5413 5.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9074 5.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2735 5.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6396 5.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0057 5.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3718 5.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7379 5.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 5.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4705 9.0908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7262 9.3036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9775 9.1074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5904 9.7777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3346 9.5651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9885 9.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8175 8.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4136 9.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1743 9.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0835 9.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3922 10.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6448 9.3339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9006 9.5467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1518 9.3505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7647 10.0208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5090 9.8082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1629 10.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9918 9.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5880 9.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7560 10.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2578 10.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5666 10.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8140 8.8092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0698 9.0219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3210 8.8258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9340 9.4961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6782 9.2835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3321 9.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1610 8.6863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7572 8.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5179 9.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4270 9.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7358 9.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0563 8.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3148 8.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7192 8.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9884 9.0523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2441 9.2651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4954 9.0689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1083 9.7392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8525 9.5266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5064 9.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3354 8.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9315 9.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0996 10.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6014 9.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9101 9.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1576 8.5275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4133 8.7403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6646 8.5441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2775 9.2145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0217 9.0018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6756 9.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5046 8.4047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1007 8.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8615 8.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7706 9.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0793 9.4727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3998 8.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6584 8.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0627 8.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3319 8.7706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5877 8.9834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8389 8.7872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4519 9.4576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1961 9.2449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8500 9.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6789 8.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2751 8.9384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4431 9.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9449 9.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2537 9.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2716 8.6478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9355 8.0657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2853 8.2360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4761 8.0513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9750 8.6334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5432 8.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4251 8.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9452 7.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4761 7.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6253 8.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6233 9.0198 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8745 8.8241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3298 8.2741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6554 8.6541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4042 8.8499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0046 8.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 8.5817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7675 8.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 9.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9490 9.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2141 9.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3806 10.4863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8483 11.0482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1040 11.2605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1120 12.0346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6443 11.4727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4482 11.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7560 10.7129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6956 11.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6316 12.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3887 11.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9336 11.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5827 10.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7109 10.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2925 10.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1021 11.8360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5698 12.3979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8254 12.6102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8335 13.3843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3658 12.8224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1696 13.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4775 12.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4170 13.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0479 13.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1102 12.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6551 13.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0702 12.0626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7340 11.4805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0838 11.6509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2747 11.4661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7736 12.0483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3417 11.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2237 11.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7438 11.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2747 11.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4239 11.8780 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 115129 1 0 0 0 0 140141 1 1 0 0 0 142141 1 1 0 0 0 143142 1 1 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 144149 1 0 0 0 0 140149 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 151152 1 0 0 0 0 151153 2 0 0 0 0 93140 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 148154 1 0 0 0 0 165166 1 1 0 0 0 166167 1 1 0 0 0 168167 1 1 0 0 0 168169 1 0 0 0 0 169170 1 0 0 0 0 169174 1 0 0 0 0 166171 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 165174 1 0 0 0 0 160165 1 0 0 0 0 M END > LMISSP0505EB04 > > Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C112H198N4O56 > 2495.28 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261743 > - > - > Active (generated by computational methods) > - $$$$