Mol:FL2FAAGS0018
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -5.3328 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3328 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3328 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3328 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6183 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6183 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9039 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9039 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9039 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9039 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6183 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6183 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1894 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1894 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4750 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4750 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4750 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4750 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1894 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1894 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7608 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7608 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0327 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0327 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3045 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3045 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3045 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3045 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0327 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0327 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7608 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7608 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1894 -1.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1894 -1.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0473 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0473 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4237 1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4237 1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6183 -1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6183 -1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3436 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3436 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5395 0.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5395 0.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1521 0.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1521 0.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3985 -0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3985 -0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2024 -0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2024 -0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5900 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5900 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9714 1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9714 1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2002 0.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2002 0.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4972 -0.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4972 -0.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8145 -0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8145 -0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5594 -1.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5594 -1.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2539 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2539 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7183 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7183 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6168 -0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6168 -0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5097 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5097 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0453 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0453 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1468 -0.6241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1468 -0.6241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0473 -0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0473 -0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1451 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1451 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0551 -1.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0551 -1.0155 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 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 |
| − | 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 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 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 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 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FAAGS0018 | + | ID FL2FAAGS0018 |
| − | FORMULA C26H30O14 | + | FORMULA C26H30O14 |
| − | EXACTMASS 566.163555668 | + | EXACTMASS 566.163555668 |
| − | AVERAGEMASS 566.508 | + | AVERAGEMASS 566.508 |
| − | SMILES c(c3)(ccc(OC(C(O)4)OC(C(OC(C(O)5)OCC(O)C5O)C4O)CO)c3)C(C2)Oc(c1C2=O)cc(cc1O)O | + | SMILES c(c3)(ccc(OC(C(O)4)OC(C(OC(C(O)5)OCC(O)C5O)C4O)CO)c3)C(C2)Oc(c1C2=O)cc(cc1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-5.3328 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3328 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6183 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9039 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9039 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6183 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1894 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4750 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4750 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1894 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0327 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3045 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3045 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0327 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1894 -1.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0473 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4237 1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6183 -1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3436 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5395 0.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1521 0.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3985 -0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2024 -0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5900 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9714 1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2002 0.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4972 -0.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8145 -0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5594 -1.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2539 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7183 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6168 -0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5097 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0453 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1468 -0.6241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0473 -0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1451 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0551 -1.0155 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
19 22 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
29 32 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
33 40 1 0 0 0 0
S SKP 5
ID FL2FAAGS0018
FORMULA C26H30O14
EXACTMASS 566.163555668
AVERAGEMASS 566.508
SMILES c(c3)(ccc(OC(C(O)4)OC(C(OC(C(O)5)OCC(O)C5O)C4O)CO)c3)C(C2)Oc(c1C2=O)cc(cc1O)O
M END
