Mol:LBF20307TX03
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.0000 0.0000 C 0 0 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 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 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.5000 0.0000 C 0 0 1 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 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 |
| − | 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 |
| − | 4 6 1 6 0 0 0 | + | 4 6 1 6 0 0 0 |
| − | 3 8 1 0 0 0 0 | + | 3 8 1 0 0 0 0 |
| − | 5 22 1 6 0 0 0 | + | 5 22 1 6 0 0 0 |
| − | 10 23 1 6 0 0 0 | + | 10 23 1 6 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 2 24 2 0 0 0 0 | + | 2 24 2 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 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 |
| − | 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 LBF20307TX03 | + | ID LBF20307TX03 |
| − | FORMULA C20H32O6 | + | FORMULA C20H32O6 |
| − | EXACTMASS 368.219888756 | + | EXACTMASS 368.219888756 |
| − | AVERAGEMASS 368.46448 | + | AVERAGEMASS 368.46448 |
| − | SMILES C(CC[C@@H](O)C=C[C@@H](O1)[C@H]([C@H](CC1=O)O)CC=CCCCC(O)=O)CC | + | SMILES C(CC[C@@H](O)C=C[C@@H](O1)[C@H]([C@H](CC1=O)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 0 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 2 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 C 0 0 1 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
8.0622 2.5000 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 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
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
7.1962 4.0000 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
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
6 7 1 0 0 0 0
8 9 2 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
12 13 1 0 0 0 0
13 14 1 0 0 0 0
4 6 1 6 0 0 0
3 8 1 0 0 0 0
5 22 1 6 0 0 0
10 23 1 6 0 0 0
14 15 1 0 0 0 0
2 24 2 0 0 0 0
7 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
20 25 1 0 0 0 0
20 26 2 0 0 0 0
S SKP 5
ID LBF20307TX03
FORMULA C20H32O6
EXACTMASS 368.219888756
AVERAGEMASS 368.46448
SMILES C(CC[C@@H](O)C=C[C@@H](O1)[C@H]([C@H](CC1=O)O)CC=CCCCC(O)=O)CC
M END
