Mol:FL5F1CGS0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -0.0414 -0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0414 -0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0414 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0414 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6730 -1.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6730 -1.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3875 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3875 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3875 -0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3875 -0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6730 -0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6730 -0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1020 -1.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1020 -1.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8164 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8164 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8164 -0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8164 -0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1020 -0.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1020 -0.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1020 -2.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1020 -2.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5306 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5306 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2588 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2588 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9870 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9870 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9870 0.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9870 0.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2588 1.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2588 1.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5306 0.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5306 0.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7556 -0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7556 -0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5188 -1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5188 -1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7150 1.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7150 1.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2588 1.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2588 1.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3988 -0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3988 -0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8630 -0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8630 -0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0917 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0917 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3472 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3472 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8881 -0.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8881 -0.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5630 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5630 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9667 0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9667 0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1061 -0.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1061 -0.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5530 -1.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5530 -1.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5231 -1.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5231 -1.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9928 0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9928 0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4598 -0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4598 -0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4724 0.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4724 0.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0835 1.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0835 1.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6165 1.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6165 1.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6040 1.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6040 1.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6647 0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6647 0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2237 2.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2237 2.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9592 2.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9592 2.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0673 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0673 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7150 0.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7150 0.6530 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 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 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 |
| − | 24 31 1 0 0 0 0 | + | 24 31 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 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 38 28 1 0 0 0 0 | + | 38 28 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 32 42 1 0 0 0 0 | + | 32 42 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5F1CGS0003 | + | ID FL5F1CGS0003 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES O(C1C)C(OCC(O2)C(O)C(O)C(O)C2Oc(c3)ccc(C(=O)4)c3OC(c(c5)ccc(c5O)O)=C4O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(O2)C(O)C(O)C(O)C2Oc(c3)ccc(C(=O)4)c3OC(c(c5)ccc(c5O)O)=C4O)C(C(O)C(O)1)O |
M END | M END | ||
| − | |||
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
-0.0414 -0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0414 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6730 -1.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3875 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3875 -0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6730 -0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1020 -1.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8164 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8164 -0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1020 -0.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1020 -2.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5306 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2588 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9870 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9870 0.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2588 1.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5306 0.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7556 -0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5188 -1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7150 1.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2588 1.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3988 -0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8630 -0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0917 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3472 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8881 -0.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5630 -0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9667 0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1061 -0.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5530 -1.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5231 -1.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9928 0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4598 -0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4724 0.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0835 1.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6165 1.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6040 1.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6647 0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2237 2.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9592 2.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0673 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7150 0.6530 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
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 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
33 38 1 0 0 0 0
38 28 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
37 41 1 0 0 0 0
32 42 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 5
ID FL5F1CGS0003
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES O(C1C)C(OCC(O2)C(O)C(O)C(O)C2Oc(c3)ccc(C(=O)4)c3OC(c(c5)ccc(c5O)O)=C4O)C(C(O)C(O)1)O
M END
