Mol:FL1AACGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3551 -0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3551 -0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3551 0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3551 0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0695 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0695 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7840 0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7840 0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7840 -0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7840 -0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0695 -0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0695 -0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4294 -0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4294 -0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9143 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9143 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4294 0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4294 0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4556 0.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4556 0.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5221 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5221 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7383 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7383 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1514 -0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1514 -0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9778 -0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9778 -0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3909 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3909 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9778 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9778 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1514 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1514 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2158 -0.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2158 -0.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6280 -1.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6280 -1.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7006 -0.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7006 -0.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9165 0.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9165 0.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6785 0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6785 0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1494 1.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1494 1.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9337 0.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9337 0.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1716 0.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1716 0.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2158 1.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2158 1.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5484 1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5484 1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9935 0.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9935 0.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0385 -0.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0385 -0.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3902 1.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3902 1.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0695 -1.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0695 -1.7104 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 20 1 1 0 0 0 | + | 25 20 1 1 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
| − | 10 21 1 0 0 0 0 | + | 10 21 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL1AACGS0003 | + | ID FL1AACGS0003 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(c1O)c(C=c(c(=O)2)oc(c3)c2c(cc(OC(O4)C(O)C(O)C(O)C(C)4)3)O)ccc1O | + | SMILES c(c1O)c(C=c(c(=O)2)oc(c3)c2c(cc(OC(O4)C(O)C(O)C(O)C(C)4)3)O)ccc1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.3551 -0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3551 0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0695 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7840 0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7840 -0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0695 -0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4294 -0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9143 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4294 0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4556 0.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5221 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7383 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1514 -0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9778 -0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3909 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9778 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1514 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2158 -0.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6280 -1.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7006 -0.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9165 0.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6785 0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1494 1.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9337 0.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1716 0.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2158 1.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5484 1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9935 0.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0385 -0.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3902 1.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0695 -1.7104 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 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
15 18 1 0 0 0 0
7 19 2 0 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 20 1 1 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
25 28 1 0 0 0 0
20 29 1 0 0 0 0
10 21 1 0 0 0 0
16 30 1 0 0 0 0
6 31 1 0 0 0 0
S SKP 5
ID FL1AACGS0003
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c1O)c(C=c(c(=O)2)oc(c3)c2c(cc(OC(O4)C(O)C(O)C(O)C(C)4)3)O)ccc1O
M END
