Mol:LBF142nnXX01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 16 0 0 1 0 0 0 0 0999 V2000 | + | 16 16 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.7173 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7173 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4341 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4341 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6091 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6091 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3835 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.3835 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.0669 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0669 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7979 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7979 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2148 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2148 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6318 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6318 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0488 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0488 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5342 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5342 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1171 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1171 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7002 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7002 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2832 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2832 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9996 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9996 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7173 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7173 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9982 1.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9982 1.0161 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 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 4 3 1 4 0 0 0 | + | 4 3 1 4 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 |
| − | 4 6 1 0 0 0 0 | + | 4 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 |
| − | 14 16 2 0 0 0 0 | + | 14 16 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF142nnXX01 | + | ID LBF142nnXX01 |
| − | FORMULA C14H24O2 | + | FORMULA C14H24O2 |
| − | EXACTMASS 224.17763001199998 | + | EXACTMASS 224.17763001199998 |
| − | AVERAGEMASS 224.33916 | + | AVERAGEMASS 224.33916 |
| − | SMILES OC(=O)CCCCCCCCC(C1)C=CC1 | + | SMILES OC(=O)CCCCCCCCC(C1)C=CC1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
-3.7173 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4341 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6091 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3835 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0669 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7979 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2148 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6318 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0488 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5342 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1171 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7002 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2832 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9996 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7173 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9982 1.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 3 1 4 0 0 0
4 5 1 0 0 0 0
1 5 1 0 0 0 0
4 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
14 16 2 0 0 0 0
S SKP 5
ID LBF142nnXX01
FORMULA C14H24O2
EXACTMASS 224.17763001199998
AVERAGEMASS 224.33916
SMILES OC(=O)CCCCCCCCC(C1)C=CC1
M END
