Mol:FL5FAAGS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8041 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8041 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8041 -0.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8041 -0.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0937 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0937 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6168 -0.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6168 -0.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6168 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6168 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0937 0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0937 0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3272 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3272 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0376 -0.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0376 -0.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0376 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0376 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3272 0.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3272 0.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3272 -1.6769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3272 -1.6769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7478 0.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7478 0.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4719 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4719 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1960 0.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1960 0.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1960 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1960 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4719 1.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4719 1.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7478 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7478 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0937 -1.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0937 -1.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5143 0.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5143 0.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9198 1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9198 1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5893 -1.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5893 -1.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8007 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8007 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1422 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1422 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1940 0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1940 0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2790 0.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2790 0.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9439 0.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9439 0.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7734 0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7734 0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5871 1.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5871 1.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9198 -0.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9198 -0.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3812 -0.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3812 -0.2837 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 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 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0010 | + | ID FL5FAAGS0010 |
| − | FORMULA C20H18O10 | + | FORMULA C20H18O10 |
| − | EXACTMASS 418.089996796 | + | EXACTMASS 418.089996796 |
| − | AVERAGEMASS 418.35092 | + | AVERAGEMASS 418.35092 |
| − | SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(C(O)C2)O)1)O | + | SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(C(O)C2)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/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.8041 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8041 -0.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0937 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6168 -0.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6168 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0937 0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3272 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0376 -0.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0376 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3272 0.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3272 -1.6769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7478 0.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4719 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1960 0.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1960 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4719 1.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7478 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0937 -1.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5143 0.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9198 1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5893 -1.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8007 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1422 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1940 0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2790 0.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9439 0.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7734 0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5871 1.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9198 -0.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3812 -0.2837 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 0 0 0
S SKP 5
ID FL5FAAGS0010
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(C(O)C2)O)1)O
M END
