Mol:FL4DAAGS0001
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 |
| − | -3.2880 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2880 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5841 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5841 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8801 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8801 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8801 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8801 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5841 0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5841 0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2880 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2880 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1762 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1762 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4722 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4722 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4722 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4722 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1762 0.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1762 0.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1762 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1762 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3112 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3112 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0257 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0257 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7402 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7402 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7402 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7402 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0257 2.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0257 2.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3112 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3112 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0086 0.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0086 0.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1605 -1.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1605 -1.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4547 2.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4547 2.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5841 -1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5841 -1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4107 -0.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4107 -0.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9430 -1.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9430 -1.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8425 -1.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8425 -1.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7473 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7473 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3156 -0.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3156 -0.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0086 -0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0086 -0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7369 -2.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7369 -2.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8425 -0.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8425 -0.3252 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 |
| − | 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DAAGS0001 | + | ID FL4DAAGS0001 |
| − | FORMULA C20H20O10 | + | FORMULA C20H20O10 |
| − | EXACTMASS 420.10564686 | + | EXACTMASS 420.10564686 |
| − | AVERAGEMASS 420.3668 | + | AVERAGEMASS 420.3668 |
| − | SMILES O(c32)C(c(c4)ccc(O)c4)C(C(=O)c2c(cc(O)c3)O)OC(O1)C(O)C(C(O)C1)O | + | SMILES O(c32)C(c(c4)ccc(O)c4)C(C(=O)c2c(cc(O)c3)O)OC(O1)C(O)C(C(O)C1)O |
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
-3.2880 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5841 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8801 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8801 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5841 0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2880 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1762 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4722 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4722 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1762 0.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1762 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3112 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0257 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7402 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7402 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0257 2.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3112 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0086 0.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1605 -1.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4547 2.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5841 -1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4107 -0.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9430 -1.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8425 -1.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7473 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3156 -0.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0086 -0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7369 -2.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8425 -0.3252 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
19 23 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
S SKP 5
ID FL4DAAGS0001
FORMULA C20H20O10
EXACTMASS 420.10564686
AVERAGEMASS 420.3668
SMILES O(c32)C(c(c4)ccc(O)c4)C(C(=O)c2c(cc(O)c3)O)OC(O1)C(O)C(C(O)C1)O
M END
