Mol:FL5FFCGS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1904 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1904 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1904 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1904 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4759 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4759 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7615 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7615 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7615 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7615 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4759 0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4759 0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0470 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0470 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3325 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3325 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3325 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3325 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0470 0.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0470 0.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0470 -1.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0470 -1.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3817 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3817 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1099 0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1099 0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8379 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8379 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8379 1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8379 1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1099 1.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1099 1.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3817 1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3817 1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9046 0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9046 0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4759 -1.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4759 -1.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3817 -1.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3817 -1.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1099 2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1099 2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5882 1.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5882 1.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2077 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2077 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3645 -1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3645 -1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7465 -1.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7465 -1.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7810 -2.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7810 -2.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8656 -1.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8656 -1.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3614 -1.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3614 -1.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2046 -0.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2046 -0.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8683 -2.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8683 -2.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9046 -2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9046 -2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4759 1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4759 1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9153 2.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9153 2.4498 0.0000 C 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 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 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 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 6 32 1 0 0 0 0 | + | 6 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 34 -0.0026 0.6886 | + | M SBV 1 34 -0.0026 0.6886 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 0.0000 -0.7399 | + | M SBV 2 36 0.0000 -0.7399 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFCGS0011 | + | ID FL5FFCGS0011 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES C(C(OC(=C3c(c4)cc(c(O)c4)O)C(c(c2O)c(O3)c(c(O)c2)OC)=O)1)(O)C(O)C(O1)CO | + | SMILES C(C(OC(=C3c(c4)cc(c(O)c4)O)C(c(c2O)c(O3)c(c(O)c2)OC)=O)1)(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-3.1904 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1904 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4759 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7615 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7615 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4759 0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0470 -1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3325 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3325 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0470 0.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0470 -1.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3817 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1099 0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8379 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8379 1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1099 1.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3817 1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9046 0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4759 -1.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3817 -1.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1099 2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5882 1.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2077 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3645 -1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7465 -1.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7810 -2.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 -1.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3614 -1.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2046 -0.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8683 -2.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9046 -2.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4759 1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9153 2.4498 0.0000 C 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
8 20 1 0 0 0 0
16 21 1 0 0 0 0
15 22 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
27 26 1 1 0 0 0
27 23 1 0 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
25 20 1 0 0 0 0
30 31 1 0 0 0 0
27 30 1 0 0 0 0
32 33 1 0 0 0 0
6 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 -0.0026 0.6886
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 0.0000 -0.7399
S SKP 5
ID FL5FFCGS0011
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES C(C(OC(=C3c(c4)cc(c(O)c4)O)C(c(c2O)c(O3)c(c(O)c2)OC)=O)1)(O)C(O)C(O1)CO
M END
