Mol:LBF18107EO02
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 |
| − | -4.1658 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1658 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9921 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9921 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2735 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2735 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3765 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3765 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3280 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3280 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9863 2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9863 2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8421 2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8421 2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5547 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5547 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1422 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1422 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3173 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3173 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9048 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9048 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2212 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2212 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6337 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6337 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2212 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2212 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6337 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6337 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2212 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2212 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6337 -1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6337 -1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2212 -2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2212 -2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7533 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7533 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1658 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1658 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1658 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1658 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2735 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2735 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 2 6 2 0 0 0 0 | + | 2 6 2 0 0 0 0 |
| − | 4 7 1 4 0 0 0 | + | 4 7 1 4 0 0 0 |
| − | 5 7 1 4 0 0 0 | + | 5 7 1 4 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 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 |
| − | 5 12 1 0 0 0 0 | + | 5 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 |
| − | 18 17 1 4 0 0 0 | + | 18 17 1 4 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 3 22 2 0 0 0 0 | + | 3 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18107EO02 | + | ID LBF18107EO02 |
| − | FORMULA C18H30O4 | + | FORMULA C18H30O4 |
| − | EXACTMASS 310.21440944799997 | + | EXACTMASS 310.21440944799997 |
| − | AVERAGEMASS 310.4284 | + | AVERAGEMASS 310.4284 |
| − | SMILES C(C(C=CC(=O)CCCCC)1)(CCCCCCCC(O)=O)O1 | + | SMILES C(C(C=CC(=O)CCCCC)1)(CCCCCCCC(O)=O)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
-4.1658 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9921 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2735 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3765 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3280 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9863 2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8421 2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5547 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1422 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3173 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9048 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6337 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6337 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6337 -1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 -2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7533 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1658 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1658 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2735 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 22 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
2 6 2 0 0 0 0
4 7 1 4 0 0 0
5 7 1 4 0 0 0
1 8 1 0 0 0 0
2 11 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
5 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
18 17 1 4 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
3 22 2 0 0 0 0
S SKP 5
ID LBF18107EO02
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES C(C(C=CC(=O)CCCCC)1)(CCCCCCCC(O)=O)O1
M END
