Mol:FL5FCAGI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 57 62 0 0 0 0 0 0 0 0999 V2000 | + | 57 62 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.1407 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1407 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4263 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4263 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4262 3.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4262 3.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1407 3.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1407 3.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8552 3.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8552 3.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8552 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8552 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7118 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7118 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0027 2.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0027 2.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7172 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7172 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7172 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7172 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0027 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0027 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7118 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7118 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4316 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4316 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1461 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1461 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1461 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1461 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4316 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4316 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0027 0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0027 0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4586 3.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4586 3.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3209 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3209 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4316 0.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4316 0.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4316 3.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4316 3.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0349 3.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0349 3.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0349 4.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0349 4.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3716 4.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3716 4.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7219 4.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7219 4.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6063 -1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6063 -1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2135 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2135 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5214 -0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5214 -0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1766 -0.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1766 -0.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3567 -0.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3567 -0.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0487 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0487 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8125 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8125 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3694 -0.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3694 -0.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9635 -2.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9635 -2.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3043 -2.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3043 -2.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3958 -0.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3958 -0.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9119 -2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9119 -2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9119 -2.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9119 -2.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7279 -2.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7279 -2.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3600 -1.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3600 -1.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2772 -1.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2772 -1.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7279 -2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7279 -2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3180 -1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3180 -1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8081 -3.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8081 -3.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6648 -4.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6648 -4.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2027 -3.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2027 -3.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5432 -3.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5432 -3.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4000 -2.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4000 -2.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0621 -3.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0621 -3.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0479 -3.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0479 -3.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1560 -4.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1560 -4.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3922 -4.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3922 -4.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3140 -4.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3140 -4.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8148 2.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8148 2.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4586 2.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4586 2.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9119 -0.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9119 -0.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4061 -0.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4061 -0.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 42 37 1 1 0 0 0 | + | 42 37 1 1 0 0 0 |
| − | 41 37 1 1 0 0 0 | + | 41 37 1 1 0 0 0 |
| − | 40 42 1 1 0 0 0 | + | 40 42 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 42 39 1 0 0 0 0 | + | 42 39 1 0 0 0 0 |
| − | 43 40 1 0 0 0 0 | + | 43 40 1 0 0 0 0 |
| − | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 48 47 1 1 0 0 0 | + | 48 47 1 1 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 47 50 1 0 0 0 0 | + | 47 50 1 0 0 0 0 |
| − | 46 51 1 0 0 0 0 | + | 46 51 1 0 0 0 0 |
| − | 45 52 1 0 0 0 0 | + | 45 52 1 0 0 0 0 |
| − | 44 53 1 0 0 0 0 | + | 44 53 1 0 0 0 0 |
| − | 48 35 1 0 0 0 0 | + | 48 35 1 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 14 54 1 0 0 0 0 | + | 14 54 1 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 37 56 1 0 0 0 0 | + | 37 56 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 54 55 | + | M SAL 1 2 54 55 |
| − | M SBL 1 1 60 | + | M SBL 1 1 60 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 60 0.6687 -0.3861 | + | M SBV 1 60 0.6687 -0.3861 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 56 57 | + | M SAL 2 2 56 57 |
| − | M SBL 2 1 62 | + | M SBL 2 1 62 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 62 0.0000 -1.1282 | + | M SBV 2 62 0.0000 -1.1282 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCAGI0001 | + | ID FL5FCAGI0001 |
| − | FORMULA C38H48O19 | + | FORMULA C38H48O19 |
| − | EXACTMASS 808.278979354 | + | EXACTMASS 808.278979354 |
| − | AVERAGEMASS 808.77632 | + | AVERAGEMASS 808.77632 |
| − | SMILES OC(C5COC(O6)C(O)C(C6)(O)CO)C(C(O)C(O5)OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c(CC=C(C)C)3)c(c(cc3OC)O)2)OC(O1)C(C(O)C(C1C)O)O | + | SMILES OC(C5COC(O6)C(O)C(C6)(O)CO)C(C(O)C(O5)OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c(CC=C(C)C)3)c(c(cc3OC)O)2)OC(O1)C(C(O)C(C1C)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
57 62 0 0 0 0 0 0 0 0999 V2000
2.1407 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4263 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4262 3.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1407 3.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8552 3.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8552 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7118 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0027 2.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7172 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7172 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0027 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7118 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4316 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1461 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1461 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4316 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0027 0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4586 3.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3209 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4316 0.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4316 3.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0349 3.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0349 4.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3716 4.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7219 4.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 -1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2135 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5214 -0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1766 -0.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3567 -0.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0487 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8125 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3694 -0.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9635 -2.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3043 -2.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3958 -0.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9119 -2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9119 -2.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7279 -2.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3600 -1.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2772 -1.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7279 -2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3180 -1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8081 -3.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6648 -4.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2027 -3.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5432 -3.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4000 -2.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0621 -3.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0479 -3.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1560 -4.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3922 -4.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3140 -4.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8148 2.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4586 2.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9119 -0.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4061 -0.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
11 17 2 0 0 0 0
5 18 1 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
42 37 1 1 0 0 0
41 37 1 1 0 0 0
40 42 1 1 0 0 0
37 38 1 0 0 0 0
42 39 1 0 0 0 0
43 40 1 0 0 0 0
41 43 1 0 0 0 0
33 40 1 0 0 0 0
29 19 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
47 50 1 0 0 0 0
46 51 1 0 0 0 0
45 52 1 0 0 0 0
44 53 1 0 0 0 0
48 35 1 0 0 0 0
54 55 1 0 0 0 0
14 54 1 0 0 0 0
56 57 1 0 0 0 0
37 56 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 54 55
M SBL 1 1 60
M SMT 1 ^ OCH3
M SBV 1 60 0.6687 -0.3861
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 56 57
M SBL 2 1 62
M SMT 2 CH2OH
M SBV 2 62 0.0000 -1.1282
S SKP 5
ID FL5FCAGI0001
FORMULA C38H48O19
EXACTMASS 808.278979354
AVERAGEMASS 808.77632
SMILES OC(C5COC(O6)C(O)C(C6)(O)CO)C(C(O)C(O5)OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c(CC=C(C)C)3)c(c(cc3OC)O)2)OC(O1)C(C(O)C(C1C)O)O
M END
