Mol:FL5FACGS0017
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 |
| − | -4.1462 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1462 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1462 -0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1462 -0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4316 -1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4316 -1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7171 -0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7171 -0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7171 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7171 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4316 0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4316 0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0026 -1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0026 -1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2881 -0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2881 -0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2881 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2881 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0026 0.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0026 0.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0026 -1.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0026 -1.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5738 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5738 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1544 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1544 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8825 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8825 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8825 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8825 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1544 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1544 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5738 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5738 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8604 0.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8604 0.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4316 -1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4316 -1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5047 1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5047 1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5738 -1.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5738 -1.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6818 0.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6818 0.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7491 0.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7491 0.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3627 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3627 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1057 0.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1057 0.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8533 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8533 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2396 0.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2396 0.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4966 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4966 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1894 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1894 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9895 0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9895 0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8604 0.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8604 0.4971 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 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 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 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 24 22 1 0 0 0 0 | + | 24 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0017 | + | ID FL5FACGS0017 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES O(C1)C(Oc(c(O)4)cc(cc4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)C(O)C(C(O)1)O | + | SMILES O(C1)C(Oc(c(O)4)cc(cc4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)C(O)C(C(O)1)O |
M END | M END | ||
| − | |||
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
-4.1462 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1462 -0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4316 -1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7171 -0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7171 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4316 0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0026 -1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2881 -0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2881 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0026 0.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0026 -1.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5738 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1544 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8825 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8825 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1544 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5738 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8604 0.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4316 -1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5047 1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5738 -1.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6818 0.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7491 0.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3627 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1057 0.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8533 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2396 0.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4966 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1894 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9895 0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8604 0.4971 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
14 22 1 0 0 0 0
23 24 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 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 22 1 0 0 0 0
S SKP 5
ID FL5FACGS0017
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES O(C1)C(Oc(c(O)4)cc(cc4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)C(O)C(C(O)1)O
M END
