Mol:FL3FEAGS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0682 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0682 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0682 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0682 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7692 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7692 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4700 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4700 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4700 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4700 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7692 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7692 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1710 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1710 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8720 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8720 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8720 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8720 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1710 -0.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1710 -0.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1710 -2.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1710 -2.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5727 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5727 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2870 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2870 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0014 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0014 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0014 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0014 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2870 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2870 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5727 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5727 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6325 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6325 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7156 1.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7156 1.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7692 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7692 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6313 -1.7844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6313 -1.7844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3998 -0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3998 -0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8389 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8389 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0312 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0312 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2520 -0.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2520 -0.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8183 0.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8183 0.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5249 -0.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5249 -0.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0200 0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0200 0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9892 -0.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9892 -0.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4850 -0.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4850 -0.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4008 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4008 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0366 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0366 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3532 -0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3532 -0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5700 0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5700 0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3532 1.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3532 1.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0366 1.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0366 1.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8198 1.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8198 1.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5534 0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5534 0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7642 2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7642 2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3532 1.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3532 1.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4950 1.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4950 1.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7156 0.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7156 0.3247 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 38 28 1 0 0 0 0 | + | 38 28 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 32 42 1 0 0 0 0 | + | 32 42 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0009 | + | ID FL3FEAGS0009 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES O(C1C)C(OCC(O2)C(C(C(O)C2Oc(c3)c(c(c(C5=O)c3OC(=C5)c(c4)ccc(c4)O)O)O)O)O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(O2)C(C(C(O)C2Oc(c3)c(c(c(C5=O)c3OC(=C5)c(c4)ccc(c4)O)O)O)O)O)C(C(O)C(O)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
0.0682 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0682 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7692 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4700 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4700 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7692 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1710 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8720 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8720 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1710 -0.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1710 -2.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5727 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2870 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0014 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0014 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2870 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5727 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6325 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7156 1.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7692 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6313 -1.7844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3998 -0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8389 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0312 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2520 -0.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8183 0.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5249 -0.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0200 0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9892 -0.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4850 -0.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4008 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0366 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3532 -0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5700 0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3532 1.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0366 1.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8198 1.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5534 0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7642 2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3532 1.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4950 1.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7156 0.3247 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 3 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
33 32 1 1 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 1 0 0 0
37 32 1 1 0 0 0
33 38 1 0 0 0 0
38 28 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
37 41 1 0 0 0 0
32 42 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 5
ID FL3FEAGS0009
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES O(C1C)C(OCC(O2)C(C(C(O)C2Oc(c3)c(c(c(C5=O)c3OC(=C5)c(c4)ccc(c4)O)O)O)O)O)C(C(O)C(O)1)O
M END
