Mol:LBF19000HO01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 21 0 0 1 0 0 0 0 0999 V2000 | + | 22 21 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.9168 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9168 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4998 -0.2627 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.4998 -0.2627 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.1268 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1268 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7140 -0.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7140 -0.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1323 1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1323 1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3339 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3339 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7509 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7509 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1678 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1678 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5848 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5848 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0018 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0018 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4189 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4189 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1641 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1641 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7747 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7747 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5231 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5231 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1064 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1064 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6898 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6898 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2731 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2731 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8382 -0.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8382 -0.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5532 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5532 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1307 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1307 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7140 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7140 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4848 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4848 -1.0875 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 |
| − | 3 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 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 |
| − | 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 |
| − | 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 |
| − | 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 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 2 22 1 4 0 0 0 | + | 2 22 1 4 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF19000HO01 | + | ID LBF19000HO01 |
| − | FORMULA C19H38O3 | + | FORMULA C19H38O3 |
| − | EXACTMASS 314.28209508199996 | + | EXACTMASS 314.28209508199996 |
| − | AVERAGEMASS 314.50322 | + | AVERAGEMASS 314.50322 |
| − | SMILES CCCCCCCCCCCCCCCCCC(O)C(O)=O | + | SMILES CCCCCCCCCCCCCCCCCC(O)C(O)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
3.9168 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4998 -0.2627 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.1268 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7140 -0.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1323 1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3339 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7509 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1678 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5848 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0018 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4189 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1641 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7747 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5231 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1064 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6898 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2731 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8382 -0.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5532 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1307 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7140 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4848 -1.0875 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
3 5 2 0 0 0 0
1 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 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
14 15 1 0 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
20 21 1 0 0 0 0
2 22 1 4 0 0 0
S SKP 5
ID LBF19000HO01
FORMULA C19H38O3
EXACTMASS 314.28209508199996
AVERAGEMASS 314.50322
SMILES CCCCCCCCCCCCCCCCCC(O)C(O)=O
M END
