Accord 08271317192D 163172 0 0 0 0 0 0 0 0999 V2000 24.3399 7.4607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6847 7.8379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0292 7.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9611 6.8054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2747 6.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2747 5.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6194 6.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0414 8.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3194 8.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9593 6.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2988 6.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6382 6.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9777 6.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3173 6.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3684 7.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7079 7.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0474 7.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3869 7.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7263 7.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0660 7.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4054 7.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7448 7.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3173 5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7448 6.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0211 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2974 6.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5736 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8499 6.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1262 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5999 5.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8825 5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1651 5.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4477 5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7303 5.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0129 5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2955 5.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5781 5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8607 5.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1433 5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4259 5.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7085 5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9911 5.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2737 5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4007 9.6297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5585 9.8705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7111 9.6485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2730 10.4071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1153 10.1665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7236 10.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6617 9.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0730 9.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8022 10.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9628 10.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1804 10.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2029 9.9048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3606 10.1457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5132 9.9236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0752 10.6823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9174 10.4416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5258 10.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4639 9.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8751 10.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0653 11.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7649 10.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9826 10.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9992 9.3110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1570 9.5518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3096 9.3298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8715 10.0884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7138 9.8478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3221 10.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2602 9.1719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6715 9.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4007 9.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5613 10.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7790 10.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1417 8.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4343 8.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7602 8.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8014 9.5861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9591 9.8269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1117 9.6049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6737 10.3635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5159 10.1229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1243 10.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0624 9.4471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4736 9.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6638 10.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3634 10.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5811 10.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5977 8.9922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7555 9.2331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9081 9.0111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4700 9.7697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3123 9.5290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9206 9.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8588 8.8532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 9.1821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9992 9.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1598 9.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3775 10.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7402 8.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 8.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3587 8.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3999 9.2674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5577 9.5082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7102 9.2862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2722 10.0448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1144 9.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7228 10.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6609 9.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 9.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2623 10.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9619 10.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1796 10.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1999 9.1283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8195 8.4696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0837 8.6624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1679 8.4533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7326 9.1121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2438 8.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3736 8.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 8.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 7.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 8.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9818 11.2090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3795 11.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5371 12.0853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5462 12.9612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1486 12.3253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9266 12.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2750 11.4655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0749 12.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0025 12.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9910 12.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4760 12.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0788 11.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2239 11.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7504 11.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4032 12.7365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8009 13.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9584 13.6127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9676 14.4887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5700 13.8528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3480 14.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6964 12.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4962 14.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2102 14.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4124 13.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8974 14.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2354 12.9930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8550 12.3342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1191 12.5270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2034 12.3179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7680 12.9767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2793 12.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4091 12.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7343 12.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 11.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5040 12.7840 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 135140 1 0 0 0 0 140141 1 0 0 0 0 140142 2 0 0 0 0 93129 1 0 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 146145 1 1 0 0 0 146147 1 0 0 0 0 147148 1 0 0 0 0 147152 1 0 0 0 0 143152 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 148153 1 0 0 0 0 137143 1 0 0 0 0 154155 1 1 0 0 0 155156 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 155160 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 154163 1 0 0 0 0 149154 1 0 0 0 0 M END > LMISSP0505AR04 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C106H188N4O51 > 2333.22 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261111 > - > - > Active (generated by computational methods) > - $$$$