Mol:LBF18207HO02
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -0.7951 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7951 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1076 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1076 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5513 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5513 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2658 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2658 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9803 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9803 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6947 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6947 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4092 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4092 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1237 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1237 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8381 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8381 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5526 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5526 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2671 -0.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2671 -0.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5526 0.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5526 0.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4276 -0.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4276 -0.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2251 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2251 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9760 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.9760 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.6826 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6826 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3701 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3701 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9751 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9751 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5526 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5526 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2671 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2671 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9760 0.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9760 0.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 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 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 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 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 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 |
| − | 15 21 1 4 0 0 0 | + | 15 21 1 4 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18207HO02 | + | ID LBF18207HO02 |
| − | FORMULA C18H32O3 | + | FORMULA C18H32O3 |
| − | EXACTMASS 296.23514489 | + | EXACTMASS 296.23514489 |
| − | AVERAGEMASS 296.44488 | + | AVERAGEMASS 296.44488 |
| − | SMILES CCCCCC(O)C=CC=CCCCCCCCC(O)=O | + | SMILES CCCCCC(O)C=CC=CCCCCCCCC(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
-0.7951 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1076 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5513 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2658 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9803 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6947 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4092 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1237 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8381 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5526 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2671 -0.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5526 0.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4276 -0.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2251 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9760 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6826 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3701 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9751 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5526 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2671 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9760 0.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 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
10 12 2 0 0 0 0
1 13 1 0 0 0 0
13 14 2 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
15 21 1 4 0 0 0
S SKP 5
ID LBF18207HO02
FORMULA C18H32O3
EXACTMASS 296.23514489
AVERAGEMASS 296.44488
SMILES CCCCCC(O)C=CC=CCCCCCCCC(O)=O
M END
