Mol:LBF237nnPG04
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 32 0 0 0 0 0 0 0 0999 V2000 | + | 31 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.6691 -1.7722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.6691 -1.7722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.5827 -1.3655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5827 -1.3655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.4781 -0.3709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.4781 -0.3709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 -0.1630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.5000 -0.1630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2213 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2213 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4487 -1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4487 -1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4487 -2.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4487 -2.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3147 -3.3655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.3147 -3.3655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.3147 -4.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3147 -4.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1808 -4.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1808 -4.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0134 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0134 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7565 1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7565 1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5486 2.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5486 2.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2918 3.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2918 3.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0838 4.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0838 4.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1808 -5.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1808 -5.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3147 -6.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3147 -6.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3147 -7.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3147 -7.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1808 -7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1808 -7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0468 -7.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0468 -7.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0468 -6.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0468 -6.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8270 5.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8270 5.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3622 6.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3622 6.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3133 6.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3133 6.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1543 7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1543 7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0933 0.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0933 0.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4612 -2.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4612 -2.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1808 -2.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1808 -2.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6191 6.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6191 6.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7780 4.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7780 4.9310 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 |
| − | 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 |
| − | 2 7 1 1 0 0 0 | + | 2 7 1 1 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 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 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 4 27 1 6 0 0 0 | + | 4 27 1 6 0 0 0 |
| − | 3 6 1 6 0 0 0 | + | 3 6 1 6 0 0 0 |
| − | 9 29 1 1 0 0 0 | + | 9 29 1 1 0 0 0 |
| − | 11 17 1 0 0 0 0 | + | 11 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 1 28 1 6 0 0 0 | + | 1 28 1 6 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 23 31 2 0 0 0 0 | + | 23 31 2 0 0 0 0 |
| − | 30 24 1 0 0 0 0 | + | 30 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF237nnPG04 | + | ID LBF237nnPG04 |
| − | FORMULA C26H38O5 | + | FORMULA C26H38O5 |
| − | EXACTMASS 430.271924326 | + | EXACTMASS 430.271924326 |
| − | AVERAGEMASS 430.57692 | + | AVERAGEMASS 430.57692 |
| − | SMILES [C@@H](C2)(O)[C@@H]([C@H]([C@@H](O)2)CC=CCCCC(=O)OC(C)C)C=C[C@@H](O)CCc(c1)cccc1 | + | SMILES [C@@H](C2)(O)[C@@H]([C@H]([C@@H](O)2)CC=CCCCC(=O)OC(C)C)C=C[C@@H](O)CCc(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 32 0 0 0 0 0 0 0 0999 V2000
2.6691 -1.7722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5827 -1.3655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4781 -0.3709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5000 -0.1630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 -1.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -3.3655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3147 -4.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -4.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 1.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5486 2.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2918 3.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0838 4.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -5.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -6.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -7.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -7.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -6.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8270 5.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3622 6.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3133 6.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1543 7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 0.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 -2.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6191 6.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7780 4.9310 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
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
2 7 1 1 0 0 0
6 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
4 27 1 6 0 0 0
3 6 1 6 0 0 0
9 29 1 1 0 0 0
11 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 17 1 0 0 0 0
16 23 1 0 0 0 0
1 28 1 6 0 0 0
23 30 1 0 0 0 0
23 31 2 0 0 0 0
30 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 5
ID LBF237nnPG04
FORMULA C26H38O5
EXACTMASS 430.271924326
AVERAGEMASS 430.57692
SMILES [C@@H](C2)(O)[C@@H]([C@H]([C@@H](O)2)CC=CCCCC(=O)OC(C)C)C=C[C@@H](O)CCc(c1)cccc1
M END
