Mol:FL5FCEGL0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 56 61 0 0 0 0 0 0 0 0999 V2000 | + | 56 61 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0552 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0552 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0552 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0552 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3540 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3540 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6527 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6527 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6527 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6527 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3540 1.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3540 1.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0485 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0485 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7497 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7497 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7497 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7497 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0485 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0485 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0498 -1.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0498 -1.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4507 1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4507 1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1654 0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1654 0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8801 1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8801 1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8801 2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8801 2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1654 2.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1654 2.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4507 2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4507 2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5573 -0.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5573 -0.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3540 -1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3540 -1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5909 -1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5909 -1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1678 -2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1678 -2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9814 -2.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9814 -2.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8001 -2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8001 -2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2234 -1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2234 -1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4096 -2.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4096 -2.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7867 -1.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7867 -1.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7910 0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7910 0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3678 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3678 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1815 -0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1815 -0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0002 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0002 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4234 0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4234 0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6096 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6096 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9652 0.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9652 0.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1331 0.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1331 0.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0231 -0.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0231 -0.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7774 -0.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7774 -0.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0918 -1.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0918 -1.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5772 -2.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5772 -2.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3807 -3.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3807 -3.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8001 -3.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8001 -3.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1654 3.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1654 3.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1326 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1326 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5945 -1.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5945 -1.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8195 -1.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8195 -1.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0718 -1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0718 -1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6151 -1.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6151 -1.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4068 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4068 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8851 -1.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8851 -1.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4724 -1.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4724 -1.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1266 -2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1266 -2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6791 2.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6791 2.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5797 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5797 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7309 1.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7309 1.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3611 2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3611 2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9907 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9907 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2234 -0.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2234 -0.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 24 37 1 0 0 0 0 | + | 24 37 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 28 18 1 0 0 0 0 | + | 28 18 1 0 0 0 0 |
| − | 16 41 1 0 0 0 0 | + | 16 41 1 0 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 45 44 1 1 0 0 0 | + | 45 44 1 1 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 19 1 0 0 0 0 | + | 45 19 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 15 51 1 0 0 0 0 | + | 15 51 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 1 53 1 0 0 0 0 | + | 1 53 1 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 47 55 1 0 0 0 0 | + | 47 55 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 51 52 | + | M SAL 1 2 51 52 |
| − | M SBL 1 1 57 | + | M SBL 1 1 57 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 57 -0.7990 -0.4613 | + | M SBV 1 57 -0.7990 -0.4613 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 53 54 | + | M SAL 2 2 53 54 |
| − | M SBL 2 1 59 | + | M SBL 2 1 59 |
| − | M SMT 2 ^ OCH3 | + | M SMT 2 ^ OCH3 |
| − | M SBV 2 59 0.6758 -0.4280 | + | M SBV 2 59 0.6758 -0.4280 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 55 56 | + | M SAL 3 2 55 56 |
| − | M SBL 3 1 61 | + | M SBL 3 1 61 |
| − | M SMT 3 ^ CH2OH | + | M SMT 3 ^ CH2OH |
| − | M SBV 3 61 0.5838 -0.5422 | + | M SBV 3 61 0.5838 -0.5422 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCEGL0004 | + | ID FL5FCEGL0004 |
| − | FORMULA C35H44O21 | + | FORMULA C35H44O21 |
| − | EXACTMASS 800.23750847 | + | EXACTMASS 800.23750847 |
| − | AVERAGEMASS 800.71126 | + | AVERAGEMASS 800.71126 |
| − | SMILES O(C(CO)6)C(C(C(C(O)6)O)O)Oc(c12)cc(cc1OC(c(c5)ccc(OC)c(O)5)=C(OC(O3)C(C(C(O)C(COC(C4O)OC(C)C(C4O)O)3)O)O)C2=O)OC | + | SMILES O(C(CO)6)C(C(C(C(O)6)O)O)Oc(c12)cc(cc1OC(c(c5)ccc(OC)c(O)5)=C(OC(O3)C(C(C(O)C(COC(C4O)OC(C)C(C4O)O)3)O)O)C2=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
56 61 0 0 0 0 0 0 0 0999 V2000
-2.0552 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0552 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3540 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6527 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6527 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3540 1.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0485 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7497 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7497 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0485 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0498 -1.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4507 1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1654 0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8801 1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8801 2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1654 2.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4507 2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5573 -0.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3540 -1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5909 -1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1678 -2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9814 -2.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8001 -2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2234 -1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4096 -2.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7867 -1.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7910 0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3678 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1815 -0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0002 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4234 0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6096 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9652 0.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1331 0.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0231 -0.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7774 -0.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0918 -1.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5772 -2.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3807 -3.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8001 -3.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1654 3.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1326 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5945 -1.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8195 -1.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0718 -1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6151 -1.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4068 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8851 -1.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4724 -1.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1266 -2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6791 2.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5797 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7309 1.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3611 2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9907 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2234 -0.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 1 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
27 33 1 0 0 0 0
32 34 1 0 0 0 0
31 35 1 0 0 0 0
30 36 1 0 0 0 0
24 37 1 0 0 0 0
36 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
28 18 1 0 0 0 0
16 41 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 19 1 0 0 0 0
51 52 1 0 0 0 0
15 51 1 0 0 0 0
53 54 1 0 0 0 0
1 53 1 0 0 0 0
55 56 1 0 0 0 0
47 55 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 51 52
M SBL 1 1 57
M SMT 1 OCH3
M SBV 1 57 -0.7990 -0.4613
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 53 54
M SBL 2 1 59
M SMT 2 ^ OCH3
M SBV 2 59 0.6758 -0.4280
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 55 56
M SBL 3 1 61
M SMT 3 ^ CH2OH
M SBV 3 61 0.5838 -0.5422
S SKP 5
ID FL5FCEGL0004
FORMULA C35H44O21
EXACTMASS 800.23750847
AVERAGEMASS 800.71126
SMILES O(C(CO)6)C(C(C(C(O)6)O)O)Oc(c12)cc(cc1OC(c(c5)ccc(OC)c(O)5)=C(OC(O3)C(C(C(O)C(COC(C4O)OC(C)C(C4O)O)3)O)O)C2=O)OC
M END
