Mol:FL5FAAGS0002
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 |
| − | -3.0515 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0515 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0515 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0515 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3503 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3503 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6491 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6491 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6491 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6491 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3503 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3503 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9479 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9479 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2467 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2467 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2467 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2467 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9479 0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9479 0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9479 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9479 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4543 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4543 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1689 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1689 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8836 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8836 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8836 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8836 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1689 1.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1689 1.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4543 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4543 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7525 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7525 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3503 -1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3503 -1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5702 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5702 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8674 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8674 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3787 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3787 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3184 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3184 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2637 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2637 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7525 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7525 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8128 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8128 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2204 -0.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2204 -0.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1597 -0.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1597 -0.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7332 0.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7332 0.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5981 1.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5981 1.8331 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0002 | + | ID FL5FAAGS0002 |
| − | FORMULA C20H18O10 | + | FORMULA C20H18O10 |
| − | EXACTMASS 418.089996796 | + | EXACTMASS 418.089996796 |
| − | AVERAGEMASS 418.35092 | + | AVERAGEMASS 418.35092 |
| − | SMILES O(c32)C(c(c4)ccc(O)c4)=C(C(=O)c2c(cc(O)c3)O)OC(O1)C(O)C(C(O)C1)O | + | SMILES O(c32)C(c(c4)ccc(O)c4)=C(C(=O)c2c(cc(O)c3)O)OC(O1)C(O)C(C(O)C1)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
-3.0515 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0515 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3503 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6491 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6491 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3503 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9479 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2467 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2467 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9479 0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9479 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4543 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1689 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8836 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8836 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1689 1.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4543 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7525 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3503 -1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5702 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8674 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3787 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3184 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2637 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7525 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8128 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2204 -0.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1597 -0.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7332 0.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 1.8331 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
3 19 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
20 8 1 0 0 0 0
15 30 1 0 0 0 0
S SKP 5
ID FL5FAAGS0002
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES O(c32)C(c(c4)ccc(O)c4)=C(C(=O)c2c(cc(O)c3)O)OC(O1)C(O)C(C(O)C1)O
M END
