Mol:LBF12202HO01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 18 18 0 0 1 0 0 0 0 0999 V2000 | + | 18 18 0 0 1 0 0 0 0 0999 V2000 |
| − | -1.9103 0.7803 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.9103 0.7803 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.4067 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4067 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9323 -0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9323 -0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1472 -0.3128 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.1472 -0.3128 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.1320 0.5094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.1320 0.5094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.1234 1.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1234 1.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0904 -1.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0904 -1.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4445 -0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4445 -0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2732 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2732 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2732 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2732 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4445 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4445 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9827 -0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9827 -0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6922 -0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6922 -0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6922 0.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6922 0.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4067 -0.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4067 -0.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4067 -1.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4067 -1.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9813 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9813 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6958 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6958 0.4750 0.0000 O 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 |
| − | 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 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 1 6 1 4 0 0 0 | + | 1 6 1 4 0 0 0 |
| − | 3 7 2 0 0 0 0 | + | 3 7 2 0 0 0 0 |
| − | 4 8 1 4 0 0 0 | + | 4 8 1 4 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 5 11 1 4 0 0 0 | + | 5 11 1 4 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 10 17 1 0 0 0 0 | + | 10 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF12202HO01 | + | ID LBF12202HO01 |
| − | FORMULA C13H18O5 | + | FORMULA C13H18O5 |
| − | EXACTMASS 254.11542368599999 | + | EXACTMASS 254.11542368599999 |
| − | AVERAGEMASS 254.27902 | + | AVERAGEMASS 254.27902 |
| − | SMILES O=CC=CC(C(O)1)C(CCCC(=O)OC)C(=O)C1 | + | SMILES O=CC=CC(C(O)1)C(CCCC(=O)OC)C(=O)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
18 18 0 0 1 0 0 0 0 0999 V2000
-1.9103 0.7803 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.4067 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9323 -0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1472 -0.3128 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1320 0.5094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1234 1.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0904 -1.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4445 -0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2732 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2732 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4445 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9827 -0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6922 -0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6922 0.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 -0.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 -1.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9813 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6958 0.4750 0.0000 O 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
1 5 1 0 0 0 0
1 6 1 4 0 0 0
3 7 2 0 0 0 0
4 8 1 4 0 0 0
8 9 1 0 0 0 0
10 11 2 0 0 0 0
5 11 1 4 0 0 0
9 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
10 17 1 0 0 0 0
17 18 2 0 0 0 0
S SKP 5
ID LBF12202HO01
FORMULA C13H18O5
EXACTMASS 254.11542368599999
AVERAGEMASS 254.27902
SMILES O=CC=CC(C(O)1)C(CCCC(=O)OC)C(=O)C1
M END
