Mol:LBF09000BC01
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 11 0 0 1 0 0 0 0 0999 V2000 | + | 12 11 0 0 1 0 0 0 0 0999 V2000 |
| − | 0.4601 -0.6920 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4601 -0.6920 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.4601 -1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4601 -1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7688 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7688 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3564 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3564 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7688 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7688 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7688 -1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7688 -1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6772 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6772 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2647 0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2647 0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4397 0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4397 0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0273 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0273 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7977 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7977 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2102 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2102 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 4 0 0 0 | + | 1 2 1 4 0 0 0 |
| − | 1 4 1 0 0 0 0 | + | 1 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF09000BC01 | + | ID LBF09000BC01 |
| − | FORMULA C10H20O2 | + | FORMULA C10H20O2 |
| − | EXACTMASS 172.14632988399998 | + | EXACTMASS 172.14632988399998 |
| − | AVERAGEMASS 172.2646 | + | AVERAGEMASS 172.2646 |
| − | SMILES CCCCCCCC(C)C(O)=O | + | SMILES CCCCCCCC(C)C(O)=O |
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 11 0 0 1 0 0 0 0 0999 V2000
0.4601 -0.6920 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4601 -1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7688 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3564 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7688 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7688 -1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6772 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2647 0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4397 0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0273 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7977 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2102 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
1 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
1 7 1 0 0 0 0
3 12 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
S SKP 5
ID LBF09000BC01
FORMULA C10H20O2
EXACTMASS 172.14632988399998
AVERAGEMASS 172.2646
SMILES CCCCCCCC(C)C(O)=O
M END
