Mol:FL3FAAGS0007
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 |
| − | -1.3565 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3565 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3565 -1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3565 -1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6420 -1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6420 -1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0724 -1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0724 -1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0724 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0724 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6420 -0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6420 -0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7868 -1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7868 -1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5013 -1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5013 -1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5013 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5013 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7868 -0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7868 -0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7868 -2.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7868 -2.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2154 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2154 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9436 -0.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9436 -0.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6716 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6716 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6716 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6716 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9436 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9436 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2154 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2154 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0706 -0.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0706 -0.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6420 -2.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6420 -2.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3997 1.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3997 1.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6929 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6929 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8861 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8861 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1687 0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1687 0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9126 1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9126 1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7194 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7194 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4635 1.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4635 1.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3271 2.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3271 2.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9126 2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9126 2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1673 1.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1673 1.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3997 0.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3997 0.1655 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 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0007 | + | ID FL3FAAGS0007 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C(C)2)c1 | + | SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C(C)2)c1 |
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
-1.3565 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3565 -1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6420 -1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0724 -1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0724 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6420 -0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7868 -1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5013 -1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5013 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7868 -0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7868 -2.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2154 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9436 -0.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6716 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6716 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9436 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2154 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0706 -0.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6420 -2.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3997 1.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6929 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8861 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1687 0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9126 1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7194 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4635 1.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3271 2.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9126 2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1673 1.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3997 0.1655 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
15 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
22 18 1 0 0 0 0
S SKP 5
ID FL3FAAGS0007
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C(C)2)c1
M END
