Mol:LBF20207PG20
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 24 0 0 0 0 0 0 0 0999 V2000 | + | 24 24 0 0 0 0 0 0 0 0999 V2000 |
| − | 9.0858 3.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0858 3.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7768 2.5737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.7768 2.5737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.5858 1.9859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.5858 1.9859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 10.3948 2.5737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.3948 2.5737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.0858 3.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0858 3.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5858 0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5858 0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8257 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8257 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0826 2.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0826 2.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1315 2.6248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.1315 2.6248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.3884 3.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3884 3.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4373 2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4373 2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 3.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 3.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 4.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4518 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4518 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4518 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4518 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.3179 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3179 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.3179 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3179 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.1839 -2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.1839 -2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.1839 -3.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.1839 -3.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.3459 2.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3459 2.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9236 1.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9236 1.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.3179 -4.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3179 -4.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.0499 -4.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.0499 -4.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 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 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 3 6 1 6 0 0 0 | + | 3 6 1 6 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 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 |
| − | 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 |
| − | 2 7 1 1 0 0 0 | + | 2 7 1 1 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | 9 22 1 1 0 0 0 | + | 9 22 1 1 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 |
| − | 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 |
| − | 4 21 1 1 0 0 0 | + | 4 21 1 1 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 2 0 0 0 0 | + | 20 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20207PG20 | + | ID LBF20207PG20 |
| − | FORMULA C20H36O4 | + | FORMULA C20H36O4 |
| − | EXACTMASS 340.26135963999997 | + | EXACTMASS 340.26135963999997 |
| − | AVERAGEMASS 340.49744 | + | AVERAGEMASS 340.49744 |
| − | SMILES C(CC[C@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)CC[C@@H](O)1)CC | + | SMILES C(CC[C@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)CC[C@@H](O)1)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000
9.0858 3.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7768 2.5737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5858 1.9859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3948 2.5737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0858 3.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5858 0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8257 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 2.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1315 2.6248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3884 3.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4373 2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 3.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4518 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1839 -3.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3459 2.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9236 1.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -4.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 -4.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 0 0 0 0
3 6 1 6 0 0 0
7 8 2 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
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
2 7 1 1 0 0 0
6 15 1 0 0 0 0
9 22 1 1 0 0 0
15 16 1 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
4 21 1 1 0 0 0
20 23 1 0 0 0 0
20 24 2 0 0 0 0
S SKP 5
ID LBF20207PG20
FORMULA C20H36O4
EXACTMASS 340.26135963999997
AVERAGEMASS 340.49744
SMILES C(CC[C@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)CC[C@@H](O)1)CC
M END
