Mol:FL3FALGS0005
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 |
| − | -1.9161 -1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9161 -1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9161 -2.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9161 -2.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2152 -3.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2152 -3.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 -2.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 -2.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 -1.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 -1.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2152 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2152 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1870 -3.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1870 -3.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8880 -2.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8880 -2.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8880 -1.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8880 -1.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1870 -1.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1870 -1.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1870 -3.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1870 -3.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5888 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5888 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3034 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3034 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0179 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0179 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0179 -0.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0179 -0.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3034 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3034 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5888 -0.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5888 -0.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2152 -3.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2152 -3.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7322 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7322 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7322 -1.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7322 -1.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6331 -1.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6331 -1.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8745 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8745 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1924 2.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1924 2.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7078 1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7078 1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7421 0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7421 0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1750 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1750 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 1.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 1.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8346 1.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8346 1.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9853 3.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9853 3.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1362 2.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1362 2.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8352 -0.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8352 -0.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1812 3.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1812 3.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7322 3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7322 3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5982 2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5982 2.6550 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 2 0 0 0 0 | + | 32 34 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FALGS0005 | + | ID FL3FALGS0005 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES Oc(c(O)1)cc(OC(O4)C(C(C(OC(C)=O)C4)O)O)c(C(O3)=CC(c(c32)c(O)cc(O)c2)=O)c1 | + | SMILES Oc(c(O)1)cc(OC(O4)C(C(C(OC(C)=O)C4)O)O)c(C(O3)=CC(c(c32)c(O)cc(O)c2)=O)c1 |
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
-1.9161 -1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9161 -2.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2152 -3.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 -2.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 -1.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2152 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1870 -3.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8880 -2.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8880 -1.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1870 -1.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1870 -3.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5888 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3034 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0179 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0179 -0.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3034 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5888 -0.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2152 -3.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7322 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7322 -1.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6331 -1.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8745 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1924 2.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7078 1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7421 0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1750 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 1.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8346 1.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9853 3.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 2.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8352 -0.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1812 3.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7322 3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5982 2.6550 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
15 19 1 0 0 0 0
14 20 1 0 0 0 0
21 1 1 0 0 0 0
17 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 22 1 0 0 0 0
29 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 0 0 0 0
S SKP 5
ID FL3FALGS0005
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES Oc(c(O)1)cc(OC(O4)C(C(C(OC(C)=O)C4)O)O)c(C(O3)=CC(c(c32)c(O)cc(O)c2)=O)c1
M END
