Mol:FL3FECGS0014
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.2344 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2344 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2344 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2344 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9355 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9355 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6366 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6366 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6366 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6366 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9355 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9355 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3375 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3375 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0385 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0385 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0385 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0385 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3375 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3375 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3375 -2.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3375 -2.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7393 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7393 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4537 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4537 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1681 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1681 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1681 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1681 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4537 1.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4537 1.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7393 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7393 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4537 2.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4537 2.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0853 1.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0853 1.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9355 -2.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9355 -2.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4651 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4651 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4651 -1.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4651 -1.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3954 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3954 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8345 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8345 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0267 -0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0267 -0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2473 -0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2473 -0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8137 0.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8137 0.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6388 0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6388 0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0172 -0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0172 -0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4591 -0.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4591 -0.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3265 -0.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3265 -0.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5093 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5093 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8260 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8260 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0428 0.4257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0428 0.4257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8260 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8260 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5093 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5093 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2925 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2925 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2577 2.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2577 2.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8260 1.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8260 1.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8885 1.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8885 1.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0853 0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0853 0.0704 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 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 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0014 | + | ID FL3FECGS0014 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES c(c5O)cc(cc5O)C(O1)=CC(c(c2O)c(cc(OC(O3)C(O)C(O)C(OC(C(O)4)OC(C(O)C4O)C)C3)c(O)2)1)=O | + | SMILES c(c5O)cc(cc5O)C(O1)=CC(c(c2O)c(cc(OC(O3)C(O)C(O)C(OC(C(O)4)OC(C(O)C4O)C)C3)c(O)2)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/
41 45 0 0 0 0 0 0 0 0999 V2000
0.2344 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2344 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9355 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6366 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6366 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9355 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3375 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0385 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0385 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3375 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3375 -2.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7393 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4537 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1681 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1681 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4537 1.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7393 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4537 2.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0853 1.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9355 -2.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4651 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4651 -1.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3954 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8345 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0267 -0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2473 -0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8137 0.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6388 0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0172 -0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4591 -0.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3265 -0.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5093 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8260 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0428 0.4257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8260 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5093 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2925 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2577 2.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8260 1.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8885 1.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0853 0.0704 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 21 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
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
33 29 1 0 0 0 0
S SKP 5
ID FL3FECGS0014
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(c5O)cc(cc5O)C(O1)=CC(c(c2O)c(cc(OC(O3)C(O)C(O)C(OC(C(O)4)OC(C(O)C4O)C)C3)c(O)2)1)=O
M END
