Mol:LBF22308SC01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 23 0 0 0 0 0 0 0 0999 V2000 | + | 24 23 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.9352 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9352 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5073 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5073 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1123 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1123 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5073 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5073 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3852 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3852 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8352 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8352 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3402 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3402 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8727 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8727 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4327 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4327 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9652 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9652 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5252 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5252 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0577 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0577 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3548 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3548 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8498 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8498 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2348 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2348 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7298 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7298 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1698 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1698 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5548 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5548 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9948 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9948 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4623 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4623 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8748 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8748 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2873 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2873 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6998 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6998 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1123 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1123 -0.6291 0.0000 C 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 |
| − | 2 4 2 0 0 0 0 | + | 2 4 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 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 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 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 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 |
| − | 20 19 1 0 0 0 0 | + | 20 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF22308SC01 | + | ID LBF22308SC01 |
| − | FORMULA C22H38O2 | + | FORMULA C22H38O2 |
| − | EXACTMASS 334.28718046 | + | EXACTMASS 334.28718046 |
| − | AVERAGEMASS 334.53592000000003 | + | AVERAGEMASS 334.53592000000003 |
| − | SMILES C(CCC(O)=O)CCCC=CCC=CCC=CCCCCCCC | + | SMILES C(CCC(O)=O)CCCC=CCC=CCC=CCCCCCCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
3.9352 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5073 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1123 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5073 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3852 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8352 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3402 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8727 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4327 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9652 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5252 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0577 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3548 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8498 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2348 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7298 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1698 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5548 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9948 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4623 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8748 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2873 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6998 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1123 -0.6291 0.0000 C 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
2 4 2 0 0 0 0
1 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 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
20 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF22308SC01
FORMULA C22H38O2
EXACTMASS 334.28718046
AVERAGEMASS 334.53592000000003
SMILES C(CCC(O)=O)CCCC=CCC=CCC=CCCCCCCC
M END
