Mol:FL5FACGS0035
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6843 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6843 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6843 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6843 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9698 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9698 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2553 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2553 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2553 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2553 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9698 0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9698 0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4593 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4593 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1738 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1738 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1738 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1738 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4593 0.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4593 0.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4593 -1.4157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4593 -1.4157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0736 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0736 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8017 0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8017 0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5300 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5300 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5300 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5300 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8017 2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8017 2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0736 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0736 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9698 -1.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9698 -1.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3094 2.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3094 2.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8973 -0.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8973 -0.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3316 0.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3316 0.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7202 1.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7202 1.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0456 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0456 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2598 1.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2598 1.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0456 2.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0456 2.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7202 2.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7202 2.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5063 1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5063 1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4742 3.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4742 3.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0456 2.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0456 2.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0912 2.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0912 2.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3094 1.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3094 1.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5986 -2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5986 -2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2863 -2.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2863 -2.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0680 -1.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0680 -1.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2863 -1.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2863 -1.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5986 -0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5986 -0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8167 -1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8167 -1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6819 -1.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6819 -1.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6734 -2.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6734 -2.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1836 -3.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1836 -3.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6040 -2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6040 -2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8017 3.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8017 3.1387 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 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 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 36 20 1 0 0 0 0 | + | 36 20 1 0 0 0 0 |
| − | 16 42 1 0 0 0 0 | + | 16 42 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0035 | + | ID FL5FACGS0035 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES O(c(c2)cc(O)c(C3=O)c2OC(c(c5)ccc(O)c5O)=C(OC(C(O)4)OC(C)C(C4O)O)3)C(C(O)1)OC(C)C(O)C1O | + | SMILES O(c(c2)cc(O)c(C3=O)c2OC(c(c5)ccc(O)c5O)=C(OC(C(O)4)OC(C)C(C4O)O)3)C(C(O)1)OC(C)C(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.6843 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6843 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9698 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2553 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2553 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9698 0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4593 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1738 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1738 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4593 0.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4593 -1.4157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0736 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8017 0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5300 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5300 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8017 2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0736 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9698 -1.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3094 2.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8973 -0.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3316 0.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7202 1.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0456 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2598 1.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0456 2.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7202 2.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5063 1.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4742 3.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0456 2.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0912 2.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3094 1.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5986 -2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2863 -2.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0680 -1.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2863 -1.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5986 -0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8167 -1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6819 -1.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6734 -2.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1836 -3.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6040 -2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8017 3.1387 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 8 1 0 0 0 0
4 3 1 0 0 0 0
1 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
21 23 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
36 20 1 0 0 0 0
16 42 1 0 0 0 0
S SKP 5
ID FL5FACGS0035
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES O(c(c2)cc(O)c(C3=O)c2OC(c(c5)ccc(O)c5O)=C(OC(C(O)4)OC(C)C(C4O)O)3)C(C(O)1)OC(C)C(O)C1O
M END
