Mol:LBF21503HO01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 24 0 0 1 0 0 0 0 0999 V2000 | + | 25 24 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.9520 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9520 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1210 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1210 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5729 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5729 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9410 0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9410 0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1810 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1810 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3500 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3500 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2041 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2041 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8640 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8640 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5000 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5000 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7909 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7909 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6198 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6198 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5762 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5762 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5762 -1.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5762 -1.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5469 -1.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5469 -1.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1647 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1647 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7252 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7252 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2305 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2305 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7909 -1.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7909 -1.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7909 0.8406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7909 0.8406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2305 1.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2305 1.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3885 0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3885 0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9585 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9585 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2535 0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2535 0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0115 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0115 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2073 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2073 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 23 6 1 0 0 0 0 | + | 23 6 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 12 8 1 4 0 0 0 | + | 12 8 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 |
| − | 16 15 1 4 0 0 0 | + | 16 15 1 4 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 2 0 0 0 0 | + | 1 21 2 0 0 0 0 |
| − | 3 22 2 0 0 0 0 | + | 3 22 2 0 0 0 0 |
| − | 5 23 2 0 0 0 0 | + | 5 23 2 0 0 0 0 |
| − | 7 24 2 0 0 0 0 | + | 7 24 2 0 0 0 0 |
| − | 11 25 2 0 0 0 0 | + | 11 25 2 0 0 0 0 |
| − | 25 12 1 0 0 0 0 | + | 25 12 1 0 0 0 0 |
| − | 15 11 1 0 0 0 0 | + | 15 11 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF21503HO01 | + | ID LBF21503HO01 |
| − | FORMULA C21H32O4 | + | FORMULA C21H32O4 |
| − | EXACTMASS 348.23005951199997 | + | EXACTMASS 348.23005951199997 |
| − | AVERAGEMASS 348.47637999999995 | + | AVERAGEMASS 348.47637999999995 |
| − | SMILES C(CC=CCC=CCC=CCC(OO)C=CCCC(OC)=O)=CCC | + | SMILES C(CC=CCC=CCC=CCC(OO)C=CCCC(OC)=O)=CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.9520 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1210 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5729 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9410 0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1810 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3500 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2041 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8640 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5000 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7909 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6198 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5762 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5762 -1.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5469 -1.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1647 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7252 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2305 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7909 -1.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7909 0.8406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2305 1.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3885 0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9585 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2535 0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0115 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2073 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 2 1 0 0 0 0
2 22 1 0 0 0 0
3 4 1 0 0 0 0
23 6 1 0 0 0 0
6 24 1 0 0 0 0
7 8 1 0 0 0 0
1 9 1 0 0 0 0
9 10 1 0 0 0 0
4 5 1 0 0 0 0
12 8 1 4 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
16 15 1 4 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 2 0 0 0 0
3 22 2 0 0 0 0
5 23 2 0 0 0 0
7 24 2 0 0 0 0
11 25 2 0 0 0 0
25 12 1 0 0 0 0
15 11 1 0 0 0 0
S SKP 5
ID LBF21503HO01
FORMULA C21H32O4
EXACTMASS 348.23005951199997
AVERAGEMASS 348.47637999999995
SMILES C(CC=CCC=CCC=CCC(OO)C=CCCC(OC)=O)=CCC
M END
