Mol:FL5FEAGS0002
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 |
| − | 0.0481 -0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0481 -0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0481 -1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0481 -1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7626 -1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7626 -1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4771 -1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4771 -1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4771 -0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4771 -0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7626 -0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7626 -0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1917 -1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1917 -1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9062 -1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9062 -1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9062 -0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9062 -0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1917 -0.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1917 -0.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1917 -2.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1917 -2.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6204 -0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6204 -0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3487 -0.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3487 -0.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0769 -0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0769 -0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0769 0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0769 0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3487 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3487 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6204 0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6204 0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6662 -0.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6662 -0.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 -1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 -1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8049 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8049 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4952 -0.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4952 -0.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9594 -0.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9594 -0.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1879 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1879 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4434 -0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4434 -0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9844 0.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9844 0.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6593 -0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6593 -0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0134 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0134 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0994 -0.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0994 -0.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7304 -0.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7304 -0.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5589 -0.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5589 -0.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1118 0.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1118 0.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4943 0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4943 0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6374 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6374 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3675 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3675 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9851 1.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9851 1.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8419 1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8419 1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6413 0.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6413 0.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6480 2.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6480 2.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3084 2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3084 2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4737 1.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4737 1.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8049 0.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8049 0.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7626 -2.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7626 -2.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6662 -1.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6662 -1.7871 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 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 37 27 1 0 0 0 0 | + | 37 27 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 31 41 1 0 0 0 0 | + | 31 41 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 3 42 1 0 0 0 0 | + | 3 42 1 0 0 0 0 |
| − | 2 43 1 0 0 0 0 | + | 2 43 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FEAGS0002 | + | ID FL5FEAGS0002 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES O(C1C)C(OCC(O2)C(C(C(C2Oc(c5)c(O)c(c(c53)C(=O)C(=C(c(c4)ccc(O)c4)O3)O)O)O)O)O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(O2)C(C(C(C2Oc(c5)c(O)c(c(c53)C(=O)C(=C(c(c4)ccc(O)c4)O3)O)O)O)O)O)C(C(O)C(O)1)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
0.0481 -0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0481 -1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7626 -1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4771 -1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4771 -0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7626 -0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1917 -1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9062 -1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9062 -0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1917 -0.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1917 -2.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6204 -0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3487 -0.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0769 -0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0769 0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3487 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6204 0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6662 -0.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 -1.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8049 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4952 -0.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9594 -0.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1879 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4434 -0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9844 0.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6593 -0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0134 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0994 -0.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7304 -0.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5589 -0.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1118 0.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4943 0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6374 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3675 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9851 1.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8419 1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6413 0.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6480 2.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3084 2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4737 1.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8049 0.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7626 -2.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6662 -1.7871 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
8 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
32 37 1 0 0 0 0
37 27 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
36 40 1 0 0 0 0
31 41 1 0 0 0 0
24 18 1 0 0 0 0
3 42 1 0 0 0 0
2 43 1 0 0 0 0
S SKP 5
ID FL5FEAGS0002
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES O(C1C)C(OCC(O2)C(C(C(C2Oc(c5)c(O)c(c(c53)C(=O)C(=C(c(c4)ccc(O)c4)O3)O)O)O)O)O)C(C(O)C(O)1)O
M END
