Mol:FL5FADGS0020
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7861 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7861 3.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 3.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5005 2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5005 2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5005 1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5005 1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 1.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 1.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5005 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5005 0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -0.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2150 1.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2150 1.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 -0.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 -0.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2150 3.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2150 3.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7861 4.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 4.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5103 4.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5103 4.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4680 -3.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4680 -3.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2422 -3.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2422 -3.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1709 -2.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1709 -2.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5286 -1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5286 -1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7545 -2.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7545 -2.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8255 -3.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8255 -3.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8648 -2.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8648 -2.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1532 -4.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1532 -4.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6200 -4.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6200 -4.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4318 -2.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4318 -2.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3834 -2.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3834 -2.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4756 -1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4756 -1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9728 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9728 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1575 -0.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1575 -0.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0653 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0653 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3669 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3669 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5308 -1.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5308 -1.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1055 -2.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1055 -2.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0015 -2.7205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0015 -2.7205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2508 -0.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2508 -0.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 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 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 19 1 0 0 0 0 | + | 36 19 1 0 0 0 0 |
| − | 27 43 1 0 0 0 0 | + | 27 43 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0020 | + | ID FL5FADGS0020 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES c(c5O)c(c(C2=O)c(c5)OC(=C2OC(C(OC(C4O)OCC(C4O)O)3)OC(CO)C(C3O)O)c(c1)ccc(c1OC)O)O | + | SMILES c(c5O)c(c(C2=O)c(c5)OC(=C2OC(C(OC(C4O)OCC(C4O)O)3)OC(CO)C(C3O)O)c(c1)ccc(c1OC)O)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/
43 47 0 0 0 0 0 0 0 0999 V2000
1.7861 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 3.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 1.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 -0.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 3.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 4.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5103 4.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4680 -3.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2422 -3.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1709 -2.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5286 -1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7545 -2.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8255 -3.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8648 -2.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1532 -4.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 -4.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4318 -2.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3834 -2.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4756 -1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9728 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1575 -0.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0653 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3669 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5308 -1.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1055 -2.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0015 -2.7205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2508 -0.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
22 23 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 29 1 0 0 0 0
29 24 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
24 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 19 1 0 0 0 0
27 43 1 0 0 0 0
S SKP 5
ID FL5FADGS0020
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES c(c5O)c(c(C2=O)c(c5)OC(=C2OC(C(OC(C4O)OCC(C4O)O)3)OC(CO)C(C3O)O)c(c1)ccc(c1OC)O)O
M END
