Mol:LBF162nnXX01
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 |
| − | -4.3003 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3003 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0171 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0171 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1921 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1921 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9666 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.9666 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.6500 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6500 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3809 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3809 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7978 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7978 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2148 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2148 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6319 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6319 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0489 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0489 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5341 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5341 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1172 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1172 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7002 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7002 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2831 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2831 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8661 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8661 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5825 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5825 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3003 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3003 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5811 1.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5811 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 |
| − | 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 |
| − | 16 18 2 0 0 0 0 | + | 16 18 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF162nnXX01 | + | ID LBF162nnXX01 |
| − | FORMULA C16H28O2 | + | FORMULA C16H28O2 |
| − | EXACTMASS 252.20893013999998 | + | EXACTMASS 252.20893013999998 |
| − | AVERAGEMASS 252.39231999999998 | + | AVERAGEMASS 252.39231999999998 |
| − | SMILES OC(=O)CCCCCCCCCCC(C1)C=CC1 | + | SMILES OC(=O)CCCCCCCCCCC(C1)C=CC1 |
M END | M END | ||
| − | |||
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
-4.3003 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0171 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1921 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9666 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6500 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3809 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7978 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2148 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6319 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0489 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5341 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1172 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7002 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2831 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8661 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5825 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3003 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5811 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
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 2 0 0 0 0
S SKP 5
ID LBF162nnXX01
FORMULA C16H28O2
EXACTMASS 252.20893013999998
AVERAGEMASS 252.39231999999998
SMILES OC(=O)CCCCCCCCCCC(C1)C=CC1
M END
