Mol:FL3FEGGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5269 1.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5269 1.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5269 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5269 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8260 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8260 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1248 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1248 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1248 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1248 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8260 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8260 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5763 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5763 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2773 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2773 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2773 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2773 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5763 1.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5763 1.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5777 -0.9407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5777 -0.9407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9781 1.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9781 1.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6926 1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6926 1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4072 1.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4072 1.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4072 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4072 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6926 2.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6926 2.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9781 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9781 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8260 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8260 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2439 1.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2439 1.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1216 2.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1216 2.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6926 3.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6926 3.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1216 1.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1216 1.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2821 -0.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2821 -0.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3251 -2.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3251 -2.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7614 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7614 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8455 -2.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8455 -2.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9363 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9363 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5001 -2.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5001 -2.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4159 -2.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4159 -2.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1216 -2.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1216 -2.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6397 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6397 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9798 -3.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9798 -3.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3090 -3.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3090 -3.5383 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 29 24 1 1 0 0 0 | + | 29 24 1 1 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 33 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 FL3FEGGS0001 | + | ID FL3FEGGS0001 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES c(C(=O)3)(c2OC(c(c4)cc(O)c(O)c(O)4)=C3)c(c(O)c(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES c(C(=O)3)(c2OC(c(c4)cc(O)c(O)c(O)4)=C3)c(c(O)c(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.5269 1.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5269 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8260 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1248 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1248 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8260 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5763 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2773 0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2773 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5763 1.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5777 -0.9407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9781 1.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6926 1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4072 1.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4072 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6926 2.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9781 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8260 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2439 1.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1216 2.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6926 3.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1216 1.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2821 -0.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3251 -2.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7614 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8455 -2.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9363 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5001 -2.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4159 -2.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1216 -2.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6397 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9798 -3.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3090 -3.5383 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
3 18 1 0 0 0 0
19 1 1 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
14 22 1 0 0 0 0
2 23 1 0 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 28 1 0 0 0 0
28 29 1 1 0 0 0
29 24 1 1 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
29 32 1 0 0 0 0
24 33 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 5
ID FL3FEGGS0001
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES c(C(=O)3)(c2OC(c(c4)cc(O)c(O)c(O)4)=C3)c(c(O)c(O)c2)OC(O1)C(O)C(O)C(O)C(C)1
M END
