Mol:FL5FAAGS0069
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 |
| − | 1.1286 2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1286 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8431 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8431 2.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 2.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4141 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4141 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 1.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 1.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4141 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4141 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 -0.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 -0.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1582 1.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1582 1.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0204 -0.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0204 -0.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1582 2.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1582 2.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 -0.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 -0.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6859 -2.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6859 -2.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1378 -2.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1378 -2.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3118 -1.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3118 -1.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8725 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8725 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0487 -1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0487 -1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1254 -2.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1254 -2.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4166 -0.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4166 -0.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6167 -2.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6167 -2.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2189 -2.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2189 -2.0112 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 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 FL5FAAGS0069 | + | ID FL5FAAGS0069 |
| − | 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
1.1286 2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 2.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 1.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 -0.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 1.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0204 -0.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 2.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 -0.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6859 -2.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1378 -2.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3118 -1.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8725 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0487 -1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1254 -2.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4166 -0.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6167 -2.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 -2.0112 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 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
26 28 1 0 0 0 0
27 29 1 0 0 0 0
22 30 1 0 0 0 0
25 19 1 0 0 0 0
S SKP 5
ID FL5FAAGS0069
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
