Mol:FL5FAAGS0003
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 |
| − | -3.3159 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3159 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3159 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3159 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6147 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6147 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9135 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9135 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9135 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9135 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6147 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6147 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2123 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2123 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5111 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5111 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5111 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5111 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2123 0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2123 0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2123 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2123 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1898 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1898 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9045 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9045 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6191 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6191 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6191 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6191 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9045 1.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9045 1.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1898 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1898 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0169 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0169 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6147 -1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6147 -1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3058 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3058 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4791 -0.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4791 -0.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9906 -1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9906 -1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9301 -1.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9301 -1.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8755 -1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8755 -1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3642 -0.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3642 -0.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4245 -0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4245 -0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9366 -0.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9366 -0.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8554 -0.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8554 -0.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0169 -0.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0169 -0.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3335 1.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3335 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 FL5FAAGS0003 | + | ID FL5FAAGS0003 |
| − | 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
-3.3159 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3159 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6147 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9135 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9135 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6147 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2123 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5111 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5111 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2123 0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2123 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1898 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9045 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6191 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6191 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9045 1.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1898 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0169 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6147 -1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3058 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4791 -0.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9906 -1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9301 -1.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8755 -1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3642 -0.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4245 -0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9366 -0.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8554 -0.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0169 -0.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3335 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 FL5FAAGS0003
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
