Mol:LBF17307HO02
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 19 0 0 0 0 0 0 0 0999 V2000 | + | 20 19 0 0 0 0 0 0 0 0999 V2000 |
| − | 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 6.5000 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 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 1 5 2 0 0 0 0 | + | 1 5 2 0 0 0 0 |
| − | 3 6 2 0 0 0 0 | + | 3 6 2 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 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 |
| − | 8 12 1 0 0 0 0 | + | 8 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 |
| − | 12 18 1 6 0 0 0 | + | 12 18 1 6 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 11 20 2 0 0 0 0 | + | 11 20 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF17307HO02 | + | ID LBF17307HO02 |
| − | FORMULA C17H28O3 | + | FORMULA C17H28O3 |
| − | EXACTMASS 280.203844762 | + | EXACTMASS 280.203844762 |
| − | AVERAGEMASS 280.40242 | + | AVERAGEMASS 280.40242 |
| − | SMILES CCCCC[C@H](O)C=CC=CCC=CCCCC(O)=O | + | SMILES CCCCC[C@H](O)C=CC=CCC=CCCCC(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/
20 19 0 0 0 0 0 0 0 0999 V2000
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 6.5000 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
4 5 1 0 0 0 0
1 5 2 0 0 0 0
3 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
9 4 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
8 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
12 18 1 6 0 0 0
17 16 1 0 0 0 0
11 19 1 0 0 0 0
11 20 2 0 0 0 0
S SKP 5
ID LBF17307HO02
FORMULA C17H28O3
EXACTMASS 280.203844762
AVERAGEMASS 280.40242
SMILES CCCCC[C@H](O)C=CC=CCC=CCCCC(O)=O
M END
