Mol:FL3F1GGS0001
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 |
| − | -1.0741 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0741 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0741 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0741 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3729 -2.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3729 -2.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3280 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3280 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3280 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3280 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3729 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3729 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0291 -2.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0291 -2.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7302 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7302 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7302 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7302 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0291 -0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0291 -0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0291 -2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0291 -2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4310 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4310 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1455 -0.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1455 -0.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8600 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8600 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8600 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8600 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1455 0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1455 0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4310 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4310 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6518 0.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6518 0.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8815 -0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8815 -0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8696 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8696 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8534 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8534 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1632 0.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1632 0.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8534 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8534 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8298 2.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8298 2.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5200 0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5200 0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3705 2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3705 2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8534 2.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8534 2.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2526 1.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2526 1.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6518 -0.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6518 -0.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1455 1.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1455 1.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5745 -0.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5745 -0.8814 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 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 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 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3F1GGS0001 | + | ID FL3F1GGS0001 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES C(O1)(Oc(c4)cc(c(c4)2)OC(c(c3)cc(O)c(O)c(O)3)=CC2=O)C(O)C(O)C(O)C(C)1 | + | SMILES C(O1)(Oc(c4)cc(c(c4)2)OC(c(c3)cc(O)c(O)c(O)3)=CC2=O)C(O)C(O)C(O)C(C)1 |
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
-1.0741 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0741 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3729 -2.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3280 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3280 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3729 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0291 -2.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7302 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7302 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0291 -0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0291 -2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4310 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1455 -0.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8600 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8600 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1455 0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4310 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6518 0.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8815 -0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8696 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8534 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1632 0.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8534 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8298 2.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5200 0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3705 2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8534 2.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2526 1.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6518 -0.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1455 1.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5745 -0.8814 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
18 15 1 0 0 0 0
19 1 1 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
21 19 1 0 0 0 0
16 30 1 0 0 0 0
14 31 1 0 0 0 0
S SKP 5
ID FL3F1GGS0001
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES C(O1)(Oc(c4)cc(c(c4)2)OC(c(c3)cc(O)c(O)c(O)3)=CC2=O)C(O)C(O)C(O)C(C)1
M END
