Mol:FL3FAEGS0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.5524 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5524 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5524 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5524 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.9814 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9814 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9814 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9814 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.4090 -1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4090 -1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1235 -1.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1235 -1.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.0199 -1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0199 -1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3054 -1.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3054 -1.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1235 -2.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1235 -2.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7344 0.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7344 0.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3054 -2.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3054 -2.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6870 1.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6870 1.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5559 -0.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5559 -0.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3887 1.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3887 1.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7941 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7941 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7941 -2.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7941 -2.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6101 -2.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6101 -2.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7779 -0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7779 -0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2422 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2422 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1593 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1593 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6101 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6101 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2001 -0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2001 -0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2721 -0.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2721 -0.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4572 0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4572 0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0446 0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0446 0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2462 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2462 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4528 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4528 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8653 0.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8653 0.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6637 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6637 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9410 -0.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9410 -0.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -5.0671 0.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0671 0.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0624 1.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0624 1.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7843 1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7843 1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3887 2.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3887 2.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7843 1.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7843 1.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2234 2.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2234 2.1401 0.0000 C 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 29 23 1 1 0 0 0 | + | 29 23 1 1 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
| − | 27 29 1 1 0 0 0 | + | 27 29 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 29 25 1 0 0 0 0 | + | 29 25 1 0 0 0 0 |
| − | 30 27 1 0 0 0 0 | + | 30 27 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 44 1 0 0 0 0 | + | 42 44 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 35 18 1 0 0 0 0 | + | 35 18 1 0 0 0 0 |
| − | 38 27 1 0 0 0 0 | + | 38 27 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAEGS0013 | + | ID FL3FAEGS0013 |
| − | FORMULA C29H32O16 | + | FORMULA C29H32O16 |
| − | EXACTMASS 636.1690349759999 | + | EXACTMASS 636.1690349759999 |
| − | AVERAGEMASS 636.5547799999999 | + | AVERAGEMASS 636.5547799999999 |
| − | SMILES O(C(C5O)C(OC(C5O)COC(C)=O)Oc(c2)cc(O3)c(C(=O)C=C3c(c4)ccc(c4O)OC)c2O)C(C1O)OCC1(CO)O | + | SMILES O(C(C5O)C(OC(C5O)COC(C)=O)Oc(c2)cc(O3)c(C(=O)C=C3c(c4)ccc(c4O)OC)c2O)C(C1O)OCC1(CO)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/
45 49 0 0 0 0 0 0 0 0999 V2000
2.5524 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5524 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2669 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9814 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9814 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2669 1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8380 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1235 0.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4090 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4090 -1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1235 -1.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8380 -1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3054 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0199 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0199 -1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3054 -1.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1235 -2.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7344 0.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3054 -2.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6870 1.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5559 -0.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3887 1.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7941 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7941 -2.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6101 -2.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7779 -0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2422 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1593 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6101 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2001 -0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2721 -0.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4572 0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0446 0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2462 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4528 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8653 0.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6637 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9410 -0.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7761 0.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0671 0.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0624 1.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7843 1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3887 2.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7843 1.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2234 2.1401 0.0000 C 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
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
20 22 1 0 0 0 0
29 23 1 1 0 0 0
28 23 1 1 0 0 0
27 29 1 1 0 0 0
23 24 1 0 0 0 0
29 25 1 0 0 0 0
30 27 1 0 0 0 0
26 31 1 0 0 0 0
28 30 1 0 0 0 0
23 26 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
34 38 1 0 0 0 0
33 39 1 0 0 0 0
32 40 1 0 0 0 0
37 41 1 0 0 0 0
41 42 1 0 0 0 0
42 44 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
35 18 1 0 0 0 0
38 27 1 0 0 0 0
S SKP 5
ID FL3FAEGS0013
FORMULA C29H32O16
EXACTMASS 636.1690349759999
AVERAGEMASS 636.5547799999999
SMILES O(C(C5O)C(OC(C5O)COC(C)=O)Oc(c2)cc(O3)c(C(=O)C=C3c(c4)ccc(c4O)OC)c2O)C(C1O)OCC1(CO)O
M END
