Mol:FL3FE9GS0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4423 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4423 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4423 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4423 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2722 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2722 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9867 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9867 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9867 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9867 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2722 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2722 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7012 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7012 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4156 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4156 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4156 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4156 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7012 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7012 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1300 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1300 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8445 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8445 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5589 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5589 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5589 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5589 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8445 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8445 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1300 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1300 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7012 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7012 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2722 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2722 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1566 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1566 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1566 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1566 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8711 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8711 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9365 -0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9365 -0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5239 -1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5239 -1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7256 -1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7256 -1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9321 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9321 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3447 -0.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3447 -0.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1431 -0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1431 -0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1912 -1.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1912 -1.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1728 -1.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1728 -1.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5589 -0.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5589 -0.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FE9GS0013 | + | ID FL3FE9GS0013 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES COc(c1OC(O4)C(O)C(C(O)C4)O)cc(O2)c(C(=O)C=C(c(c3)cccc3)2)c1O | + | SMILES COc(c1OC(O4)C(O)C(C(O)C4)O)cc(O2)c(C(=O)C=C(c(c3)cccc3)2)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/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.4423 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4423 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2722 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9867 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9867 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2722 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7012 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4156 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4156 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7012 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1300 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8445 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5589 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5589 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8445 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1300 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7012 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2722 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1566 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1566 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8711 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9365 -0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5239 -1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7256 -1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9321 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3447 -0.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1431 -0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1912 -1.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1728 -1.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5589 -0.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
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
3 18 1 0 0 0 0
2 19 1 0 0 0 0
1 20 1 0 0 0 0
20 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
24 28 1 0 0 0 0
23 29 1 0 0 0 0
22 30 1 0 0 0 0
25 19 1 0 0 0 0
S SKP 5
ID FL3FE9GS0013
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES COc(c1OC(O4)C(O)C(C(O)C4)O)cc(O2)c(C(=O)C=C(c(c3)cccc3)2)c1O
M END
