Mol:FL5FACGS0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7742 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7742 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7742 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7742 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0597 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0597 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6547 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6547 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6547 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6547 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0597 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0597 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3692 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3692 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0836 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0836 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0836 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0836 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3692 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3692 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3692 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3692 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7978 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7978 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5260 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5260 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2542 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2542 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2542 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2542 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5260 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5260 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7978 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7978 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4884 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4884 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0597 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0597 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8762 1.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8762 1.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7978 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7978 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5260 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5260 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2932 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2932 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7724 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7724 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0226 -0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0226 -0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2411 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2411 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8248 0.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8248 0.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5908 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5908 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8762 0.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8762 0.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4234 -0.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4234 -0.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3647 -0.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3647 -0.5171 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 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 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 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0012 | + | ID FL5FACGS0012 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES O(C(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)=C(C(=O)2)O)1)CC(O)C(O)C(O)1 | + | SMILES O(C(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)=C(C(=O)2)O)1)CC(O)C(O)C(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.7742 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7742 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0597 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6547 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6547 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0597 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3692 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0836 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0836 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3692 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3692 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7978 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5260 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2542 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2542 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5260 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7978 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4884 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0597 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8762 1.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7978 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5260 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2932 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7724 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0226 -0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2411 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8248 0.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5908 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8762 0.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4234 -0.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3647 -0.5171 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
20 15 1 0 0 0 0
8 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 18 1 0 0 0 0
S SKP 5
ID FL5FACGS0012
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES O(C(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)=C(C(=O)2)O)1)CC(O)C(O)C(O)1
M END
