Mol:LBF20306HO06
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 23 0 0 1 0 0 0 0 0999 V2000 | + | 24 23 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.2539 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2539 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3654 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3654 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6853 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6853 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1648 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1648 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2679 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2679 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9189 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9189 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3805 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3805 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0162 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0162 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4288 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4288 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2539 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2539 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9912 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9912 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9912 -0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9912 -0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2768 -0.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2768 -0.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6680 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6680 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0805 1.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0805 1.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0805 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0805 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0354 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0354 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6229 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6229 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7978 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7978 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3852 -1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3852 -1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3654 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3654 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6853 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6853 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2679 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2679 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3805 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3805 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 4 23 1 0 0 0 0 | + | 4 23 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 7 8 1 4 0 0 0 | + | 7 8 1 4 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 10 9 1 4 0 0 0 | + | 10 9 1 4 0 0 0 |
| − | 3 11 1 0 0 0 0 | + | 3 11 1 0 0 0 0 |
| − | 11 4 1 4 0 0 0 | + | 11 4 1 4 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 |
| − | 10 14 1 0 0 0 0 | + | 10 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 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 |
| − | 2 21 2 0 0 0 0 | + | 2 21 2 0 0 0 0 |
| − | 3 22 2 0 0 0 0 | + | 3 22 2 0 0 0 0 |
| − | 5 23 2 0 0 0 0 | + | 5 23 2 0 0 0 0 |
| − | 7 24 2 0 0 0 0 | + | 7 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20306HO06 | + | ID LBF20306HO06 |
| − | FORMULA C20H32O4 | + | FORMULA C20H32O4 |
| − | EXACTMASS 336.23005951199997 | + | EXACTMASS 336.23005951199997 |
| − | AVERAGEMASS 336.46567999999996 | + | AVERAGEMASS 336.46567999999996 |
| − | SMILES C(CC=CC=CC(OO)CC=CCC=CCCCC(O)=O)CCC | + | SMILES C(CC=CC=CC(OO)CC=CCC=CCCCC(O)=O)CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-3.2539 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3654 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6853 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1648 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2679 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9189 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3805 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0162 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2539 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9912 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9912 -0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2768 -0.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6680 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0805 1.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0805 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0354 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6229 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7978 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3852 -1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3654 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6853 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2679 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3805 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 22 1 0 0 0 0
4 23 1 0 0 0 0
5 6 1 0 0 0 0
6 24 1 0 0 0 0
7 8 1 4 0 0 0
8 9 1 0 0 0 0
10 9 1 4 0 0 0
3 11 1 0 0 0 0
11 4 1 4 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
10 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
1 17 1 0 0 0 0
2 20 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
2 21 2 0 0 0 0
3 22 2 0 0 0 0
5 23 2 0 0 0 0
7 24 2 0 0 0 0
S SKP 5
ID LBF20306HO06
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(CC=CC=CC(OO)CC=CCC=CCCCC(O)=O)CCC
M END
