Mol:FL3FEAGS0012
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -0.7356 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7356 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7356 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7356 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0346 -1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0346 -1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6664 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6664 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6664 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6664 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0346 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0346 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3676 -1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3676 -1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0687 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0687 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0687 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0687 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3676 0.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3676 0.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3676 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3676 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7695 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7695 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4840 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4840 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1984 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1984 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1984 0.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1984 0.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4840 1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4840 1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7695 0.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7695 0.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4365 0.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4365 0.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9128 1.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9128 1.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0346 -2.1418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0346 -2.1418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4352 -1.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4352 -1.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2454 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2454 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6845 -2.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6845 -2.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8766 -1.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8766 -1.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0971 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0971 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6635 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6635 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4887 -1.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4887 -1.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9128 -1.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9128 -1.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3731 -2.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3731 -2.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3103 -2.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3103 -2.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9388 0.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9388 0.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2551 -0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2551 -0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4721 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4721 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2551 1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2551 1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9388 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9388 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7219 1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7219 1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6457 2.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6457 2.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2537 1.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2537 1.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3570 1.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3570 1.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6385 0.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6385 0.2680 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 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 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 31 40 1 0 0 0 0 | + | 31 40 1 0 0 0 0 |
| − | 32 18 1 0 0 0 0 | + | 32 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0012 | + | ID FL3FEAGS0012 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES c(c1)(ccc(C(O2)=CC(c(c(O)3)c2cc(OC(C5O)OC(C)C(C5O)O)c3OC(C4O)OCC(C4O)O)=O)c1)O | + | SMILES c(c1)(ccc(C(O2)=CC(c(c(O)3)c2cc(OC(C5O)OC(C)C(C5O)O)c3OC(C4O)OCC(C4O)O)=O)c1)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/
40 44 0 0 0 0 0 0 0 0999 V2000
-0.7356 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7356 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0346 -1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6664 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6664 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0346 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3676 -1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0687 -1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0687 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3676 0.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3676 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7695 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4840 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1984 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1984 0.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4840 1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7695 0.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4365 0.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9128 1.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0346 -2.1418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4352 -1.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2454 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6845 -2.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8766 -1.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0971 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6635 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4887 -1.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9128 -1.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3731 -2.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3103 -2.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9388 0.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2551 -0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4721 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2551 1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9388 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7219 1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6457 2.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 1.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3570 1.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6385 0.2680 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
15 19 1 0 0 0 0
20 3 1 0 0 0 0
2 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 21 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
35 37 1 0 0 0 0
34 38 1 0 0 0 0
36 39 1 0 0 0 0
31 40 1 0 0 0 0
32 18 1 0 0 0 0
S SKP 5
ID FL3FEAGS0012
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(c1)(ccc(C(O2)=CC(c(c(O)3)c2cc(OC(C5O)OC(C)C(C5O)O)c3OC(C4O)OCC(C4O)O)=O)c1)O
M END
