Mol:FL3FADDS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1718 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1718 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4574 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4574 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.9716 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9716 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4574 -2.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4574 -2.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9732 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9732 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6877 -0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6877 -0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4021 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4021 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4021 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4021 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6877 0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6877 0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9732 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9732 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0856 0.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0856 0.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9716 -2.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9716 -2.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3765 -0.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3765 -0.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0637 -0.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0637 -0.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7883 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7883 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2704 2.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2704 2.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8371 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8371 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4081 1.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4081 1.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3983 0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3983 0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8316 0.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8316 0.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2605 1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2605 1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8166 0.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8166 0.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8524 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8524 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5352 2.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5352 2.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8032 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8032 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1137 1.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1137 1.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1531 0.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1531 0.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5888 0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5888 0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1762 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1762 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3779 0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3779 0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5844 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5844 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9970 0.9582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9970 0.9582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7954 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7954 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1159 1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1159 1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7608 1.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7608 1.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1531 0.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1531 0.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7253 0.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7253 0.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0117 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0117 -0.0885 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 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 10 19 1 0 0 0 0 | + | 10 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 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 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 7 26 1 0 0 0 0 | + | 7 26 1 0 0 0 0 |
| − | 18 32 1 0 0 0 0 | + | 18 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 37 45 1 0 0 0 0 | + | 37 45 1 0 0 0 0 |
| − | 38 29 1 0 0 0 0 | + | 38 29 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FADDS0004 | + | ID FL3FADDS0004 |
| − | FORMULA C29H32O16 | + | FORMULA C29H32O16 |
| − | EXACTMASS 636.1690349759999 | + | EXACTMASS 636.1690349759999 |
| − | AVERAGEMASS 636.5547799999999 | + | AVERAGEMASS 636.5547799999999 |
| − | SMILES COc(c(OC(C)=O)1)cc(C(=C3)Oc(c(C(O5)C(C(C(C5)O)O)OC(C4O)OC(CO)C(C4O)O)2)c(C3=O)c(O)cc2O)cc1 | + | SMILES COc(c(OC(C)=O)1)cc(C(=C3)Oc(c(C(O5)C(C(C(C5)O)O)OC(C4O)OC(CO)C(C4O)O)2)c(C3=O)c(O)cc2O)cc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
1.1718 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4574 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2571 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2571 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4574 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1718 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9716 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9716 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4574 -2.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9732 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6877 -0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4021 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4021 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6877 0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9732 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0856 0.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9716 -2.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3765 -0.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0637 -0.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7883 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2704 2.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8371 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4081 1.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3983 0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8316 0.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2605 1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8166 0.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8524 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5352 2.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8032 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1137 1.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1531 0.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5888 0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1762 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3779 0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5844 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9970 0.9582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7954 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1159 1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7608 1.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1531 0.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7253 0.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0117 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 2 0 0 0 0
1 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
15 18 1 0 0 0 0
10 19 1 0 0 0 0
8 20 1 0 0 0 0
14 21 1 0 0 0 0
21 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
25 29 1 0 0 0 0
24 30 1 0 0 0 0
23 31 1 0 0 0 0
7 26 1 0 0 0 0
18 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 45 1 0 0 0 0
38 29 1 0 0 0 0
S SKP 5
ID FL3FADDS0004
FORMULA C29H32O16
EXACTMASS 636.1690349759999
AVERAGEMASS 636.5547799999999
SMILES COc(c(OC(C)=O)1)cc(C(=C3)Oc(c(C(O5)C(C(C(C5)O)O)OC(C4O)OC(CO)C(C4O)O)2)c(C3=O)c(O)cc2O)cc1
M END
