Mol:LBF20406HO07
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 23 0 0 1 0 0 0 0 0999 V2000 | + | 24 23 0 0 1 0 0 0 0 0999 V2000 |
| − | 8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -7.5000 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 |
| − | 1 3 2 0 0 0 0 | + | 1 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 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 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 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 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 9 21 1 6 0 0 0 | + | 9 21 1 6 0 0 0 |
| − | 8 22 1 1 0 0 0 | + | 8 22 1 1 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 23 2 0 0 0 0 | + | 20 23 2 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406HO07 | + | ID LBF20406HO07 |
| − | FORMULA C20H32O4 | + | FORMULA C20H32O4 |
| − | EXACTMASS 336.23005951199997 | + | EXACTMASS 336.23005951199997 |
| − | AVERAGEMASS 336.46567999999996 | + | AVERAGEMASS 336.46567999999996 |
| − | SMILES C(CC=CCC=CC=CC=C[C@@H](O)[C@@H](O)CCCC(O)=O)CCC | + | SMILES C(CC=CCC=CC=CC=C[C@@H](O)[C@@H](O)CCCC(O)=O)CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 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
2 12 1 0 0 0 0
12 13 2 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
17 18 1 0 0 0 0
11 19 1 0 0 0 0
9 21 1 6 0 0 0
8 22 1 1 0 0 0
19 20 1 0 0 0 0
20 23 2 0 0 0 0
20 24 1 0 0 0 0
S SKP 5
ID LBF20406HO07
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(CC=CCC=CC=CC=C[C@@H](O)[C@@H](O)CCCC(O)=O)CCC
M END
