Mol:LBF18307HO01
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 |
| − | -3.5289 0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5289 0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1164 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1164 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2914 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2914 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2914 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2914 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1164 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1164 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5778 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5778 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8642 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8642 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1505 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1505 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5631 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5631 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5778 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5778 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8642 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8642 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0392 -0.3575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0392 -0.3575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6745 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6745 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3881 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3881 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1017 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1017 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8153 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8153 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5289 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5289 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3733 -1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3733 -1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2767 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2767 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2767 -0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2767 -0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9912 1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9912 1.0725 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 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 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 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 3 10 1 0 0 0 0 | + | 3 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 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 |
| − | 12 18 1 6 0 0 0 | + | 12 18 1 6 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 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 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18307HO01 | + | ID LBF18307HO01 |
| − | FORMULA C18H30O3 | + | FORMULA C18H30O3 |
| − | EXACTMASS 294.21949482599996 | + | EXACTMASS 294.21949482599996 |
| − | AVERAGEMASS 294.429 | + | AVERAGEMASS 294.429 |
| − | SMILES CCCCCC(O)C=CC=CCC=CCCCCC(O)=O | + | SMILES CCCCCC(O)C=CC=CCC=CCCCCC(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
-3.5289 0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1505 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5631 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 -0.3575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6745 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5289 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3733 -1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2767 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2767 -0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9912 1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 5 2 0 0 0 0
1 5 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
9 8 1 0 0 0 0
3 10 1 0 0 0 0
10 11 2 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
12 18 1 6 0 0 0
9 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
S SKP 5
ID LBF18307HO01
FORMULA C18H30O3
EXACTMASS 294.21949482599996
AVERAGEMASS 294.429
SMILES CCCCCC(O)C=CC=CCC=CCCCCC(O)=O
M END
