Mol:LBF18109HO03
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 22 0 0 1 0 0 0 0 0999 V2000 | + | 22 22 0 0 1 0 0 0 0 0999 V2000 |
| − | -5.1807 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1807 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0070 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0070 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0555 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0555 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1039 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1039 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5357 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5357 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1039 0.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1039 0.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5696 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5696 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1571 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1571 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3322 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3322 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9197 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9197 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4684 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4684 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8809 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8809 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7058 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7058 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1183 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1183 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9433 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9433 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3557 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3557 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1807 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1807 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0005 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0005 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4129 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4129 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4129 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4129 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 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 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 2 6 1 4 0 0 0 | + | 2 6 1 4 0 0 0 |
| − | 3 6 1 4 0 0 0 | + | 3 6 1 4 0 0 0 |
| − | 4 7 1 4 0 0 0 | + | 4 7 1 4 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 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 |
| − | 5 12 1 4 0 0 0 | + | 5 12 1 4 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 |
| − | 18 17 1 4 0 0 0 | + | 18 17 1 4 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 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 5 22 2 0 0 0 0 | + | 5 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18109HO03 | + | ID LBF18109HO03 |
| − | FORMULA C18H32O4 | + | FORMULA C18H32O4 |
| − | EXACTMASS 312.23005951199997 | + | EXACTMASS 312.23005951199997 |
| − | AVERAGEMASS 312.44428 | + | AVERAGEMASS 312.44428 |
| − | SMILES C(C(C(O)C=CCCCCCCCC(O)=O)1)(CCCCC)O1 | + | SMILES C(C(C(O)C=CCCCCCCCC(O)=O)1)(CCCCC)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
-5.1807 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0070 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0555 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1039 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5357 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1039 0.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5696 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1571 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3322 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4684 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8809 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7058 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1183 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9433 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3557 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1807 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0005 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4129 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4129 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 22 1 0 0 0 0
2 6 1 4 0 0 0
3 6 1 4 0 0 0
4 7 1 4 0 0 0
1 8 1 0 0 0 0
2 11 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
5 12 1 4 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
18 17 1 4 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
5 22 2 0 0 0 0
S SKP 5
ID LBF18109HO03
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES C(C(C(O)C=CCCCCCCCC(O)=O)1)(CCCCC)O1
M END
