Mol:LBF18108OX01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 22 0 0 1 0 0 0 0 0999 V2000 | + | 22 22 0 0 1 0 0 0 0 0999 V2000 |
| − | -5.0643 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0643 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8906 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.8906 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.9391 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.9391 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.9875 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9875 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6915 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6915 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4193 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4193 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6915 0.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6915 0.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8841 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8841 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2965 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2965 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2965 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2965 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3520 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3520 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7645 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7645 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5894 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5894 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0019 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0019 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8269 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8269 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2393 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2393 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0643 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0643 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4532 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4532 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0407 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0407 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2158 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2158 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8033 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8033 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9875 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9875 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 2 6 1 4 0 0 0 | + | 2 6 1 4 0 0 0 |
| − | 3 6 1 4 0 0 0 | + | 3 6 1 4 0 0 0 |
| − | 5 7 2 0 0 0 0 | + | 5 7 2 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 11 1 0 0 0 0 |
| − | 8 17 1 0 0 0 0 | + | 8 17 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 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 |
| − | 4 22 2 0 0 0 0 | + | 4 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18108OX01 | + | ID LBF18108OX01 |
| − | FORMULA C18H30O4 | + | FORMULA C18H30O4 |
| − | EXACTMASS 310.21440944799997 | + | EXACTMASS 310.21440944799997 |
| − | AVERAGEMASS 310.4284 | + | AVERAGEMASS 310.4284 |
| − | SMILES C(C(C=CC(=O)CCCCCCCC(O)=O)1)(CCCCC)O1 | + | SMILES C(C(C=CC(=O)CCCCCCCC(O)=O)1)(CCCCC)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
-5.0643 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8906 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.9391 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.9875 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6915 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4193 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6915 0.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8841 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2965 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2965 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3520 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7645 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5894 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0019 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8269 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2393 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0643 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4532 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0407 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2158 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8033 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9875 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
2 6 1 4 0 0 0
3 6 1 4 0 0 0
5 7 2 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
5 11 1 0 0 0 0
8 17 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
1 18 1 0 0 0 0
2 21 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
4 22 2 0 0 0 0
S SKP 5
ID LBF18108OX01
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES C(C(C=CC(=O)CCCCCCCC(O)=O)1)(CCCCC)O1
M END
