Mol:LBF30000SC01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 31 0 0 0 0 0 0 0 0999 V2000 | + | 32 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.2718 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2718 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9882 0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9882 0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7032 0.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7032 0.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9882 1.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9882 1.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5582 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5582 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8418 0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8418 0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1268 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1268 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4104 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4104 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3018 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3018 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0182 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0182 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7304 0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7304 0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4468 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4468 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1591 0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1591 0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8754 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8754 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5877 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5877 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3041 0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3041 0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3041 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3041 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5877 -1.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5877 -1.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9126 -0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9126 -0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2099 -1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2099 -1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4949 -0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4949 -0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7909 -1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7909 -1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0732 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0732 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3719 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3719 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3431 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3431 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0471 -1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0471 -1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7648 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7648 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4661 -1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4661 -1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1811 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1811 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8851 -1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8851 -1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6028 -0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6028 -0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3041 -1.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3041 -1.3826 0.0000 C 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 4 2 0 0 0 0 | + | 2 4 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 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 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 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 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF30000SC01 | + | ID LBF30000SC01 |
| − | FORMULA C30H60O2 | + | FORMULA C30H60O2 |
| − | EXACTMASS 452.459331164 | + | EXACTMASS 452.459331164 |
| − | AVERAGEMASS 452.79620000000006 | + | AVERAGEMASS 452.79620000000006 |
| − | SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O | + | SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 31 0 0 0 0 0 0 0 0999 V2000
3.2718 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9882 0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7032 0.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9882 1.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5582 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8418 0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1268 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4104 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3018 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0182 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7304 0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4468 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1591 0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8754 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5877 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3041 0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3041 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5877 -1.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9126 -0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2099 -1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4949 -0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 -1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0732 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3719 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3431 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0471 -1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7648 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4661 -1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1811 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8851 -1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6028 -0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3041 -1.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 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 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 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 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
S SKP 5
ID LBF30000SC01
FORMULA C30H60O2
EXACTMASS 452.459331164
AVERAGEMASS 452.79620000000006
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
M END
