Mol:LBF20403TX01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 5.4186 4.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4186 4.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 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 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4186 3.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4186 3.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 2.5000 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 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 4 7 1 6 0 0 0 | + | 4 7 1 6 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 5 10 1 6 0 0 0 | + | 5 10 1 6 0 0 0 |
| − | 6 22 1 6 0 0 0 | + | 6 22 1 6 0 0 0 |
| − | 2 22 1 6 0 0 0 | + | 2 22 1 6 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 9 14 2 0 0 0 0 | + | 9 14 2 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 23 1 6 0 0 0 | + | 11 23 1 6 0 0 0 |
| − | 13 19 2 0 0 0 0 | + | 13 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 18 25 2 0 0 0 0 | + | 18 25 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20403TX01 | + | ID LBF20403TX01 |
| − | FORMULA C21H32O4 | + | FORMULA C21H32O4 |
| − | EXACTMASS 348.23005951199997 | + | EXACTMASS 348.23005951199997 |
| − | AVERAGEMASS 348.47637999999995 | + | AVERAGEMASS 348.47637999999995 |
| − | SMILES C([C@H]([C@H](C=C[C@H](O)CC=CCC)2)[C@@H](C1)O[C@H](C2)1)C=CCCCC(O)=O | + | SMILES C([C@H]([C@H](C=C[C@H](O)CC=CCC)2)[C@@H](C1)O[C@H](C2)1)C=CCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
5.4186 4.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 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 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4186 3.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 2.5000 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 3 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 6 1 0 0 0 0
4 7 1 6 0 0 0
7 8 2 0 0 0 0
9 10 1 0 0 0 0
5 10 1 6 0 0 0
6 22 1 6 0 0 0
2 22 1 6 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
9 14 2 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 23 1 6 0 0 0
13 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
18 24 1 0 0 0 0
18 25 2 0 0 0 0
S SKP 5
ID LBF20403TX01
FORMULA C21H32O4
EXACTMASS 348.23005951199997
AVERAGEMASS 348.47637999999995
SMILES C([C@H]([C@H](C=C[C@H](O)CC=CCC)2)[C@@H](C1)O[C@H](C2)1)C=CCCCC(O)=O
M END
