Mol:LBF18000HO11
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 20 0 0 1 0 0 0 0 0999 V2000 | + | 21 20 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7850 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7850 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3680 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3680 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9950 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9950 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5822 -0.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5822 -0.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0005 1.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0005 1.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2020 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2020 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6190 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6190 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0359 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0359 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4530 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4530 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8700 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8700 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2870 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2870 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2960 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2960 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9066 0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9066 0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6549 -0.3178 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.6549 -0.3178 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.2383 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2383 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8216 -0.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8216 -0.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4050 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4050 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2019 0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2019 0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7853 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7853 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5822 0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5822 0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6475 -1.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6475 -1.1428 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 |
| − | 14 21 1 4 0 0 0 | + | 14 21 1 4 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18000HO11 | + | ID LBF18000HO11 |
| − | FORMULA C18H36O3 | + | FORMULA C18H36O3 |
| − | EXACTMASS 300.266445018 | + | EXACTMASS 300.266445018 |
| − | AVERAGEMASS 300.47664 | + | AVERAGEMASS 300.47664 |
| − | SMILES CCCCCCC(O)CCCCCCCCCCC(O)=O | + | SMILES CCCCCCC(O)CCCCCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
3.7850 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3680 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9950 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5822 -0.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0005 1.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2020 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6190 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0359 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4530 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8700 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2870 0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2960 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9066 0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6549 -0.3178 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.2383 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8216 -0.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4050 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2019 0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7853 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5822 0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6475 -1.1428 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
14 21 1 4 0 0 0
S SKP 5
ID LBF18000HO11
FORMULA C18H36O3
EXACTMASS 300.266445018
AVERAGEMASS 300.47664
SMILES CCCCCCC(O)CCCCCCCCCCC(O)=O
M END
