Mol:FL3FEAGS0002
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 |
| − | -0.1322 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1322 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1322 -0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1322 -0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5689 -0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5689 -0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2703 -0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2703 -0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2703 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2703 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5689 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5689 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9716 -0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9716 -0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6728 -0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6728 -0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6728 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6728 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9716 0.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9716 0.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9716 -1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9716 -1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3737 0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3737 0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0886 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0886 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8033 0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8033 0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8033 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8033 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0886 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0886 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3737 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3737 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8332 0.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8332 0.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5178 1.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5178 1.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5689 -1.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5689 -1.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9337 -0.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9337 -0.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8234 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8234 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0216 -1.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0216 -1.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8673 -1.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8673 -1.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7535 -1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7535 -1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5629 -0.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5629 -0.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5727 -1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5727 -1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5178 -1.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5178 -1.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8766 -1.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8766 -1.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9983 -1.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9983 -1.8979 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 |
| − | 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 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0002 | + | ID FL3FEAGS0002 |
| − | FORMULA C20H18O10 | + | FORMULA C20H18O10 |
| − | EXACTMASS 418.089996796 | + | EXACTMASS 418.089996796 |
| − | AVERAGEMASS 418.35092 | + | AVERAGEMASS 418.35092 |
| − | SMILES C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(C(O)C4)O)OC1c(c2)ccc(O)c2 | + | SMILES C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(C(O)C4)O)OC1c(c2)ccc(O)c2 |
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
-0.1322 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1322 -0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5689 -0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2703 -0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2703 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5689 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9716 -0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6728 -0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6728 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9716 0.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9716 -1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3737 0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0886 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8033 0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8033 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0886 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3737 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8332 0.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5178 1.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5689 -1.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9337 -0.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8234 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0216 -1.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8673 -1.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7535 -1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5629 -0.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5727 -1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5178 -1.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8766 -1.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9983 -1.8979 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 21 1 0 0 0 0
S SKP 5
ID FL3FEAGS0002
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(C(O)C4)O)OC1c(c2)ccc(O)c2
M END
