Mol:LBF21307PG06
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 |
| − | 7.6880 -0.7298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.6880 -0.7298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.3790 -1.6809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.3790 -1.6809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.1880 -2.2687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.1880 -2.2687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.9971 -1.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9971 -1.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6880 -0.7298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.6880 -0.7298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.1002 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1002 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4280 -1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4280 -1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5070 0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5070 0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9192 1.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9192 1.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3259 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3259 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7382 3.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7382 3.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1449 4.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1449 4.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5571 5.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5571 5.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2200 -2.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2200 -2.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2690 -3.2771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.2690 -3.2771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.3179 -3.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3179 -3.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1100 -4.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1100 -4.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1590 -4.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1590 -4.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 -5.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 -5.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -6.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -6.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5780 -4.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5780 -4.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2758 0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2758 0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1880 -3.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1880 -3.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9600 -2.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9600 -2.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5626 5.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5626 5.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9638 6.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9638 6.1604 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 |
| − | 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 |
| − | 5 22 1 1 0 0 0 | + | 5 22 1 1 0 0 0 |
| − | 3 23 1 1 0 0 0 | + | 3 23 1 1 0 0 0 |
| − | 1 6 1 1 0 0 0 | + | 1 6 1 1 0 0 0 |
| − | 2 7 1 6 0 0 0 | + | 2 7 1 6 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 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 |
| − | 7 14 2 0 0 0 0 | + | 7 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 |
| − | 15 24 1 6 0 0 0 | + | 15 24 1 6 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 |
| − | 15 21 1 1 0 0 0 | + | 15 21 1 1 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 13 26 2 0 0 0 0 | + | 13 26 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF21307PG06 | + | ID LBF21307PG06 |
| − | FORMULA C21H36O5 | + | FORMULA C21H36O5 |
| − | EXACTMASS 368.256274262 | + | EXACTMASS 368.256274262 |
| − | AVERAGEMASS 368.50754 | + | AVERAGEMASS 368.50754 |
| − | SMILES C(=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)[C@](C)(O)CCCCC | + | SMILES C(=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)[C@](C)(O)CCCCC |
M END | M END | ||
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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
7.6880 -0.7298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3790 -1.6809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1880 -2.2687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9971 -1.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6880 -0.7298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1002 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4280 -1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5070 0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9192 1.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3259 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7382 3.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1449 4.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5571 5.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2200 -2.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2690 -3.2771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3179 -3.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 -4.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -4.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -5.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5780 -4.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2758 0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1880 -3.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9600 -2.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5626 5.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9638 6.1604 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 0 0 0 0
5 22 1 1 0 0 0
3 23 1 1 0 0 0
1 6 1 1 0 0 0
2 7 1 6 0 0 0
6 8 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
7 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 24 1 6 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
15 21 1 1 0 0 0
13 25 1 0 0 0 0
13 26 2 0 0 0 0
S SKP 5
ID LBF21307PG06
FORMULA C21H36O5
EXACTMASS 368.256274262
AVERAGEMASS 368.50754
SMILES C(=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)[C@](C)(O)CCCCC
M END
