Mol:FL3FECGS0007
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 |
| − | -0.5502 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5502 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5502 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5502 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1510 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1510 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8521 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8521 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8521 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8521 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1510 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1510 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5531 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5531 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2542 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2542 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2542 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2542 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5531 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5531 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5531 -2.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5531 -2.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9550 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9550 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6695 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6695 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3840 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3840 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3840 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3840 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6695 1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6695 1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9550 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9550 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6695 2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6695 2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3013 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3013 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1510 -2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1510 -2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2497 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2497 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2497 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2497 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2674 0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2674 0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4659 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4659 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3118 -0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3118 -0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1984 -0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1984 -0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0075 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0075 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0171 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0171 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1942 1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1942 1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3013 -0.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3013 -0.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6080 -0.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6080 -0.9848 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0007 | + | ID FL3FECGS0007 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES C(O1)(Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)C(O)C(C(O)C1)O | + | SMILES C(O1)(Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)C(O)C(C(O)C1)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.5502 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5502 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1510 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8521 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8521 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1510 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5531 -1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2542 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2542 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5531 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5531 -2.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9550 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6695 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3840 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3840 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6695 1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9550 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6695 2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3013 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1510 -2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2497 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2497 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2674 0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4659 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3118 -0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1984 -0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0075 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0171 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1942 1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3013 -0.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6080 -0.9848 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 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 21 1 0 0 0 0
S SKP 5
ID FL3FECGS0007
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES C(O1)(Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)C(O)C(C(O)C1)O
M END
