Mol:LBF21307HP01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 29 0 0 1 0 0 0 0 0999 V2000 | + | 29 29 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.5117 0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5117 0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3659 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3659 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4996 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4996 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7700 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7700 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3950 1.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3950 1.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0298 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0298 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1788 1.9377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1788 1.9377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6356 1.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6356 1.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6211 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6211 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6424 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6424 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5667 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5667 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8172 2.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8172 2.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1206 -3.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1206 -3.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6084 -1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6084 -1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9238 0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9238 0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3566 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3566 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2429 1.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2429 1.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4934 2.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4934 2.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8174 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8174 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6424 1.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6424 1.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2501 2.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2501 2.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8174 3.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8174 3.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0587 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0587 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4915 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4915 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3571 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3571 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1084 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1084 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4286 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4286 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6462 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6462 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9317 1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9317 1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 26 1 4 0 0 0 | + | 1 26 1 4 0 0 0 |
| − | 3 2 1 4 0 0 0 | + | 3 2 1 4 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 4 0 0 0 | + | 4 5 1 4 0 0 0 |
| − | 6 5 1 4 0 0 0 | + | 6 5 1 4 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
| − | 10 16 1 0 0 0 0 | + | 10 16 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 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 2 26 2 0 0 0 0 | + | 2 26 2 0 0 0 0 |
| − | 9 27 2 0 0 0 0 | + | 9 27 2 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 9 1 0 0 0 0 | + | 29 9 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF21307HP01 | + | ID LBF21307HP01 |
| − | FORMULA C21H34O8 | + | FORMULA C21H34O8 |
| − | EXACTMASS 414.225368064 | + | EXACTMASS 414.225368064 |
| − | AVERAGEMASS 414.48986 | + | AVERAGEMASS 414.48986 |
| − | SMILES C(CCC(OO)C=CC(OO)C(O1)CC(C=CC=CCCCC(OC)=O)O1)CC | + | SMILES C(CCC(OO)C=CC(OO)C(O1)CC(C=CC=CCCCC(OC)=O)O1)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 29 0 0 1 0 0 0 0 0999 V2000
-2.5117 0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3659 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4996 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7700 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3950 1.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0298 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1788 1.9377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6356 1.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6211 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6424 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5667 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8172 2.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1206 -3.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6084 -1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9238 0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3566 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2429 1.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4934 2.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8174 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6424 1.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2501 2.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8174 3.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0587 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4915 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3571 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1084 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4286 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6462 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9317 1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 4 0 0 0
3 2 1 4 0 0 0
3 4 1 0 0 0 0
4 5 1 4 0 0 0
6 5 1 4 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
4 8 1 0 0 0 0
6 27 1 0 0 0 0
1 11 1 0 0 0 0
11 12 1 0 0 0 0
1 13 1 0 0 0 0
10 16 1 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
3 17 1 0 0 0 0
17 18 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
19 25 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
2 26 2 0 0 0 0
9 27 2 0 0 0 0
23 28 1 0 0 0 0
28 29 2 0 0 0 0
29 9 1 0 0 0 0
S SKP 5
ID LBF21307HP01
FORMULA C21H34O8
EXACTMASS 414.225368064
AVERAGEMASS 414.48986
SMILES C(CCC(OO)C=CC(OO)C(O1)CC(C=CC=CCCCC(OC)=O)O1)CC
M END
