Mol:FL3FFAGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8894 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8894 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8894 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8894 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1884 -2.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1884 -2.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4875 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4875 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4875 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4875 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1884 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1884 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7865 -2.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7865 -2.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0856 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0856 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0856 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0856 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7865 -1.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7865 -1.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7865 -3.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7865 -3.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6152 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6152 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3297 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3297 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0441 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0441 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0441 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0441 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3297 0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3297 0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6152 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6152 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1884 -3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1884 -3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4439 -1.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4439 -1.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1796 -0.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1796 -0.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0916 2.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0916 2.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7431 1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7431 1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1574 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1574 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9176 0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9176 0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4597 1.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4597 1.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0309 1.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0309 1.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7374 3.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7374 3.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9854 2.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9854 2.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5383 0.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5383 0.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8752 0.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8752 0.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9854 -0.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9854 -0.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6067 2.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6067 2.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4950 3.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4950 3.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7154 3.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7154 3.1562 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 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 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 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 34 -0.8311 -0.4798 | + | M SBV 1 34 -0.8311 -0.4798 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 3 32 33 34 | + | M SAL 2 3 32 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 COOH | + | M SMT 2 COOH |
| − | M SBV 2 37 -0.4242 -0.8006 | + | M SBV 2 37 -0.4242 -0.8006 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FFAGS0007 | + | ID FL3FFAGS0007 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES Oc(c31)cc(c(OC(C(O)4)OC(C(O)C4O)C(O)=O)c1OC(=CC3=O)c(c2)ccc(c2)OC)O | + | SMILES Oc(c31)cc(c(OC(C(O)4)OC(C(O)C4O)C(O)=O)c1OC(=CC3=O)c(c2)ccc(c2)OC)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.8894 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8894 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1884 -2.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4875 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4875 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1884 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 -2.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0856 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0856 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 -1.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 -3.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6152 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3297 -1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0441 -1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0441 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3297 0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6152 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1884 -3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4439 -1.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1796 -0.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0916 2.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7431 1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1574 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9176 0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4597 1.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0309 1.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7374 3.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9854 2.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5383 0.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8752 0.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9854 -0.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6067 2.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4950 3.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7154 3.1562 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 3 1 0 0 0 0
19 1 1 0 0 0 0
6 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
20 24 1 0 0 0 0
30 31 1 0 0 0 0
15 30 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
26 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -0.8311 -0.4798
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 32 33 34
M SBL 2 1 37
M SMT 2 COOH
M SBV 2 37 -0.4242 -0.8006
S SKP 5
ID FL3FFAGS0007
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES Oc(c31)cc(c(OC(C(O)4)OC(C(O)C4O)C(O)=O)c1OC(=CC3=O)c(c2)ccc(c2)OC)O
M END
