Mol:LBF20307TX02
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 26 0 0 0 0 0 0 0 0999 V2000 | + | 26 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.5000 0.0000 C 0 0 1 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 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.5000 0.0000 C 0 0 2 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 |
| − | 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 |
| − | 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 |
| − | 4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5000 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 |
| − | 7.1962 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.0000 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 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 3 21 1 1 0 0 0 | + | 3 21 1 1 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 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 4 9 1 1 0 0 0 | + | 4 9 1 1 0 0 0 |
| − | 7 10 1 0 0 0 0 | + | 7 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 |
| − | 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 |
| − | 8 16 2 0 0 0 0 | + | 8 16 2 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 10 22 1 1 0 0 0 | + | 10 22 1 1 0 0 0 |
| − | 5 23 1 1 0 0 0 | + | 5 23 1 1 0 0 0 |
| − | 2 24 1 4 0 0 0 | + | 2 24 1 4 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 20 26 2 0 0 0 0 | + | 20 26 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20307TX02 | + | ID LBF20307TX02 |
| − | FORMULA C20H34O6 | + | FORMULA C20H34O6 |
| − | EXACTMASS 370.23553882 | + | EXACTMASS 370.23553882 |
| − | AVERAGEMASS 370.48036 | + | AVERAGEMASS 370.48036 |
| − | SMILES C(CC[C@H](O)C=C[C@@H](O1)[C@@H]([C@@H](CC1O)O)CC=CCCCC(O)=O)CC | + | SMILES C(CC[C@H](O)C=C[C@@H](O1)[C@@H]([C@@H](CC1O)O)CC=CCCCC(O)=O)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 26 0 0 0 0 0 0 0 0999 V2000
5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 1 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 2 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
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
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
4.5981 2.5000 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
7.1962 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.0000 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 21 1 0 0 0 0
3 21 1 1 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
1 5 1 0 0 0 0
3 6 1 0 0 0 0
6 7 2 0 0 0 0
8 9 1 0 0 0 0
4 9 1 1 0 0 0
7 10 1 0 0 0 0
10 11 1 0 0 0 0
11 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
8 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
10 22 1 1 0 0 0
5 23 1 1 0 0 0
2 24 1 4 0 0 0
20 25 1 0 0 0 0
20 26 2 0 0 0 0
S SKP 5
ID LBF20307TX02
FORMULA C20H34O6
EXACTMASS 370.23553882
AVERAGEMASS 370.48036
SMILES C(CC[C@H](O)C=C[C@@H](O1)[C@@H]([C@@H](CC1O)O)CC=CCCCC(O)=O)CC
M END
