Mol:FL3FACGS0079
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 |
| − | -2.4937 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4937 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4937 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4937 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7792 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7792 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0647 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0647 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0647 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0647 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7792 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7792 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3503 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3503 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3641 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3641 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3641 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3641 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3503 1.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3503 1.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0786 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0786 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7931 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7931 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5075 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5075 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5075 2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5075 2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7931 2.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7931 2.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0786 2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0786 2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3503 -0.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3503 -0.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2133 1.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2133 1.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7792 -0.8602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7792 -0.8602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1304 2.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1304 2.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2133 1.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2133 1.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7075 -0.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7075 -0.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4875 -0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4875 -0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9535 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9535 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7015 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7015 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9215 0.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9215 0.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4554 -0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4554 -0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8126 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8126 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3031 -0.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3031 -0.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3313 -0.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3313 -0.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0137 -1.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0137 -1.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7665 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7665 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7161 -2.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7161 -2.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5328 -2.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5328 -2.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8629 -1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8629 -1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5322 -1.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5322 -1.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7156 -1.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7156 -1.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 -1.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 -1.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6976 -1.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6976 -1.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9338 -2.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9338 -2.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3267 -2.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3267 -2.8200 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 |
| − | 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 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 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 36 32 1 0 0 0 0 | + | 36 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0079 | + | ID FL3FACGS0079 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES c(OC(C(OC(C5O)OCC(C5O)O)4)OC(CO)C(O)C4O)(c(O)1)cc(C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)cc1 | + | SMILES c(OC(C(OC(C5O)OCC(C5O)O)4)OC(CO)C(O)C4O)(c(O)1)cc(C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)cc1 |
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
-2.4937 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4937 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7792 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0647 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0647 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7792 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3503 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3641 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3641 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3503 1.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0786 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7931 1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5075 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5075 2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7931 2.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0786 2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3503 -0.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2133 1.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7792 -0.8602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1304 2.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2133 1.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7075 -0.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4875 -0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9535 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7015 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9215 0.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4554 -0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8126 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3031 -0.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3313 -0.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0137 -1.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7665 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7161 -2.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5328 -2.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8629 -1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5322 -1.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7156 -1.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -1.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6976 -1.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9338 -2.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3267 -2.8200 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
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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
13 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
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 21 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
35 39 1 0 0 0 0
34 40 1 0 0 0 0
33 41 1 0 0 0 0
36 32 1 0 0 0 0
S SKP 5
ID FL3FACGS0079
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(OC(C(OC(C5O)OCC(C5O)O)4)OC(CO)C(O)C4O)(c(O)1)cc(C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)cc1
M END
