Mol:FL5FAGGS0035
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 44 0 0 0 0 0 0 0 0999 V2000 | + | 41 44 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7862 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 2.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 2.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 3.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 3.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 2.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 2.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -0.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -0.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 3.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 3.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 3.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 3.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1786 1.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1786 1.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7873 -2.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7873 -2.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0367 -2.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0367 -2.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2972 -1.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2972 -1.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9203 -0.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9203 -0.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0961 -0.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0961 -0.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1643 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1643 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1146 -1.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1146 -1.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3387 -2.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3387 -2.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8297 -2.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8297 -2.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3248 -1.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3248 -1.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9831 -2.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9831 -2.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8659 -1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8659 -1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1235 -3.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1235 -3.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5157 -3.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5157 -3.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3637 -3.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3637 -3.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4280 -3.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4280 -3.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8757 -2.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8757 -2.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5162 -3.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5162 -3.6509 0.0000 C 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 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0035 | + | ID FL5FAGGS0035 |
| − | FORMULA C26H24O15 | + | FORMULA C26H24O15 |
| − | EXACTMASS 576.111520098 | + | EXACTMASS 576.111520098 |
| − | AVERAGEMASS 576.45976 | + | AVERAGEMASS 576.45976 |
| − | SMILES CC(=O)OC(C4OC(C)=O)C(OC(C)=O)C(OC4)OC(C(=O)1)=C(c(c3)cc(c(c(O)3)O)O)Oc(c2)c1c(cc2O)O | + | SMILES CC(=O)OC(C4OC(C)=O)C(OC(C)=O)C(OC4)OC(C(=O)1)=C(c(c3)cc(c(c(O)3)O)O)Oc(c2)c1c(cc2O)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/
41 44 0 0 0 0 0 0 0 0999 V2000
1.7862 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 3.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 3.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 3.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1786 1.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7873 -2.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0367 -2.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2972 -1.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9203 -0.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0961 -0.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1643 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1146 -1.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3387 -2.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8297 -2.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3248 -1.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9831 -2.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8659 -1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1235 -3.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5157 -3.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3637 -3.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4280 -3.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8757 -2.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5162 -3.6509 0.0000 C 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
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
6 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
24 32 1 0 0 0 0
27 19 1 0 0 0 0
30 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
31 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
32 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
S SKP 5
ID FL5FAGGS0035
FORMULA C26H24O15
EXACTMASS 576.111520098
AVERAGEMASS 576.45976
SMILES CC(=O)OC(C4OC(C)=O)C(OC(C)=O)C(OC4)OC(C(=O)1)=C(c(c3)cc(c(c(O)3)O)O)Oc(c2)c1c(cc2O)O
M END
