Mol:LBF102nnXX01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 12 0 0 1 0 0 0 0 0999 V2000 | + | 12 12 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.4145 -0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4145 -0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1313 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1313 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3063 -0.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3063 -0.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0807 -0.1768 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.0807 -0.1768 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.7641 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7641 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4951 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4951 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0880 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0880 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6710 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6710 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2540 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2540 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8370 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8370 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4145 -0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4145 -0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8424 1.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8424 1.0031 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 |
| − | 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 |
| − | 4 6 1 4 0 0 0 | + | 4 6 1 4 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 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF102nnXX01 | + | ID LBF102nnXX01 |
| − | FORMULA C10H16O2 | + | FORMULA C10H16O2 |
| − | EXACTMASS 168.11502975599998 | + | EXACTMASS 168.11502975599998 |
| − | AVERAGEMASS 168.23283999999998 | + | AVERAGEMASS 168.23283999999998 |
| − | SMILES OC(=O)CCCCC(C1)C=CC1 | + | SMILES OC(=O)CCCCC(C1)C=CC1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 1 0 0 0 0 0999 V2000
-2.4145 -0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1313 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3063 -0.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0807 -0.1768 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.7641 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4951 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0880 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6710 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2540 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8370 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4145 -0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8424 1.0031 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
1 5 1 0 0 0 0
4 6 1 4 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
10 12 2 0 0 0 0
S SKP 5
ID LBF102nnXX01
FORMULA C10H16O2
EXACTMASS 168.11502975599998
AVERAGEMASS 168.23283999999998
SMILES OC(=O)CCCCC(C1)C=CC1
M END
