Mol:LBF22206SC01
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 |
| − | 4.2460 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2460 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8180 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8180 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4230 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4230 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8180 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8180 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6960 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6960 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2285 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2285 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6510 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6510 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1835 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1835 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6885 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6885 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1660 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1660 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6435 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6435 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1760 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1760 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3465 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3465 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8140 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8140 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3640 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3640 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8315 -0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8315 -0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2440 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2440 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7390 -0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7390 -0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2340 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2340 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7840 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7840 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1965 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1965 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6118 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6118 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0243 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0243 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4230 -0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4230 -0.6634 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 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 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 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 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 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 LBF22206SC01 | + | ID LBF22206SC01 |
| − | FORMULA C22H40O2 | + | FORMULA C22H40O2 |
| − | EXACTMASS 336.302830524 | + | EXACTMASS 336.302830524 |
| − | AVERAGEMASS 336.5518 | + | AVERAGEMASS 336.5518 |
| − | SMILES C(CCC(O)=O)CCCCCCCCC=CCC=CCCCCC | + | SMILES C(CCC(O)=O)CCCCCCCCC=CCC=CCCCCC |
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
4.2460 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8180 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4230 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8180 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6960 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2285 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6510 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1835 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6885 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1660 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1760 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3465 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8140 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3640 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8315 -0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2440 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7390 -0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2340 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7840 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1965 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6118 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0243 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4230 -0.6634 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 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
15 14 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
21 20 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 LBF22206SC01
FORMULA C22H40O2
EXACTMASS 336.302830524
AVERAGEMASS 336.5518
SMILES C(CCC(O)=O)CCCCCCCCC=CCC=CCCCCC
M END
