Accord 08271317192D 174184 0 0 0 0 0 0 0 0999 V2000 24.3399 7.4606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6847 7.8378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0292 7.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9611 6.8053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2747 6.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2747 5.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6194 6.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0414 8.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3194 8.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9593 6.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2987 6.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6382 6.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9777 6.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3173 6.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3684 7.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7079 7.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0474 7.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3869 7.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7263 7.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0659 7.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4053 7.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7448 7.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3173 5.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7448 6.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0210 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2974 6.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5736 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8498 6.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1262 6.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5999 5.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8825 5.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1651 5.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4477 5.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7302 5.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0128 5.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2954 5.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5780 5.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8606 5.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1432 5.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4258 5.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7084 5.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9910 5.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2736 5.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4007 9.6296 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 9.6484 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 10.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7236 10.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6617 9.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0729 9.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8021 10.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9628 10.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1804 10.6993 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 10.1456 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 10.6822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9174 10.4415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5257 10.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4639 9.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8751 10.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0653 11.1756 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 9.3109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1569 9.5517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3095 9.3297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8715 10.0883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7137 9.8477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3221 10.0738 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 15.6714 9.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4006 9.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5612 10.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7789 10.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1416 8.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4343 8.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7601 8.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8013 9.5860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9591 9.8268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1117 9.6048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6736 10.3634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5159 10.1228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1242 10.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0624 9.4470 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 10.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3634 10.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5811 10.6557 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 10.7554 9.2330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9080 9.0110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4700 9.7696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3122 9.5289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9206 9.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8587 8.8531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2699 9.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9991 9.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1597 9.7509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3774 10.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7401 8.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 8.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3586 8.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 9.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5576 9.5081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7102 9.2861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2721 10.0447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1144 9.8041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7227 10.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6608 9.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 9.4571 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 10.0260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1796 10.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1998 9.1282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8194 8.4695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0836 8.6623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1679 8.4532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7325 9.1120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2437 8.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3736 8.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6987 8.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 7.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4684 8.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9818 11.2089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3794 11.8449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5370 12.0852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5461 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 12.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2750 11.4654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0748 12.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0024 12.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9910 12.0849 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 11.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7504 11.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4031 12.7364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8008 13.3724 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 8.9675 14.4886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5699 13.8527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3479 14.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6963 12.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4962 14.0847 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 9.8973 14.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2353 12.9929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8549 12.3341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1191 12.5269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2034 12.3178 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 7.2792 12.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4090 12.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7342 12.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 11.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5039 12.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2450 11.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.3975 10.8452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7810 10.2227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0178 10.6528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8653 10.8743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4131 10.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6797 10.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1448 10.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7582 11.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4819 11.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6501 11.3662 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 164165 1 1 0 0 0 166165 1 1 0 0 0 167166 1 1 0 0 0 167168 1 0 0 0 0 168169 1 0 0 0 0 168173 1 0 0 0 0 164173 1 0 0 0 0 165170 1 0 0 0 0 166171 1 0 0 0 0 167172 1 0 0 0 0 169174 1 0 0 0 0 68164 1 0 0 0 0 M END > LMISSP0505EC04 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C112H198N4O56 > 2495.28 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261751 > - > - > Active (generated by computational methods) > - $$$$