Accord 08271317192D 155163 0 0 0 0 0 0 0 0999 V2000 24.5000 6.8653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0037 7.1510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5072 6.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7870 6.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2130 6.3689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9966 7.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6931 6.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6931 5.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1967 6.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2739 7.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7269 7.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6967 6.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1963 6.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6960 6.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1957 6.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6954 6.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0066 7.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5063 6.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0059 7.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5056 6.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0052 7.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5050 6.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0046 7.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5043 6.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6954 5.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5043 6.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9560 6.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4078 6.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8596 6.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3113 6.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7632 6.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1520 5.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6085 5.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0651 5.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5217 5.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9782 5.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4348 5.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8914 5.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3480 5.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8045 5.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2611 5.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7177 5.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1742 5.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6308 5.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0874 5.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5440 5.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0005 5.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5460 8.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9080 8.6907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2661 8.5225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.9343 9.0972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5723 8.9149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2756 9.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9863 8.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7828 8.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5777 8.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2143 9.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6217 9.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1237 8.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4857 8.8991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8438 8.7309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5120 9.3056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1500 9.1233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8533 9.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5639 8.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3604 8.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5045 9.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7919 9.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1994 9.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6969 8.2668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0590 8.4493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4170 8.2811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0852 8.8557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7232 8.6735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4265 8.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1372 8.1615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9337 8.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7286 8.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3652 8.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7726 9.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0474 8.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2690 7.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7584 8.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2746 8.4752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6366 8.6577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9947 8.4895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6629 9.0641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3009 8.8819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0042 9.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7148 8.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5113 8.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6554 9.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9429 9.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3503 9.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8478 8.0254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2099 8.2078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5680 8.0396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2361 8.6143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8741 8.4320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5775 8.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2881 7.9201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0846 8.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8795 8.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5161 8.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9235 8.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1983 7.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4199 7.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9093 7.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4255 8.2338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7875 8.4162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1456 8.2481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8138 8.8227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4518 8.6404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1551 8.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8657 8.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6622 8.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8063 9.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0938 8.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5012 9.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9988 7.7840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3608 7.9664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7189 7.7982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3870 8.3729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0250 8.1906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7284 8.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4390 7.6786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2355 7.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0304 8.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6670 8.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0744 8.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3492 7.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 7.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 7.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5764 7.9924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9384 8.1748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2965 8.0066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9647 8.5813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6027 8.3990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3060 8.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0166 7.8870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8131 8.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9572 8.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2447 8.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6521 8.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6674 7.8870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3793 7.3880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8219 7.5341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1282 7.3757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5559 7.8748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1857 7.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 7.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5304 7.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1282 6.9950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1134 7.7288 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 6 48 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 123122 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 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 129135 1 0 0 0 0 146147 1 1 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 146155 1 0 0 0 0 141146 1 0 0 0 0 M END > LMISSP0505CS07 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C102H180N4O47 > 2213.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261530 > - > - > Active (generated by computational methods) > - $$$$