Mol:LBF20407LX01
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 |
| − | -3.2110 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2110 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9260 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9260 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9260 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9260 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2110 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2110 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4974 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4974 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4974 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4974 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7838 -0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.7838 -0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.0701 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0701 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3565 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3565 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3571 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3571 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0707 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0707 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7838 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7838 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0701 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0701 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3565 0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.3565 0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3571 0.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3571 0.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.0707 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0707 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7838 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7838 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7843 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7843 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4980 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4980 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7843 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7843 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3565 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3565 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3571 -0.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3571 -0.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2116 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2116 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2116 -0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2116 -0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9260 0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9260 0.8257 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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 1 6 2 0 0 0 0 | + | 1 6 2 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 |
| − | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 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 |
| − | 7 17 1 6 0 0 0 | + | 7 17 1 6 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 11 20 1 0 0 0 0 | + | 11 20 1 0 0 0 0 |
| − | 14 21 1 1 0 0 0 | + | 14 21 1 1 0 0 0 |
| − | 15 22 1 6 0 0 0 | + | 15 22 1 6 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20407LX01 | + | ID LBF20407LX01 |
| − | FORMULA C20H32O5 | + | FORMULA C20H32O5 |
| − | EXACTMASS 352.224974134 | + | EXACTMASS 352.224974134 |
| − | AVERAGEMASS 352.46508 | + | AVERAGEMASS 352.46508 |
| − | SMILES C(CCC(C=CC=CC=CC=CC(O)C(O)CCCC(O)=O)O)CC | + | SMILES C(CCC(C=CC=CC=CC=CC(O)C(O)CCCC(O)=O)O)CC |
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
-3.2110 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9260 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9260 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2110 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4974 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4974 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7838 -0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.0701 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3565 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3571 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0707 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7838 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0701 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3565 0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3571 0.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.0707 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7838 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7843 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4980 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7843 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3565 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3571 -0.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2116 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2116 -0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9260 0.8257 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
3 4 1 0 0 0 0
4 5 2 0 0 0 0
1 6 2 0 0 0 0
5 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
6 12 1 0 0 0 0
12 13 2 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
7 17 1 6 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
11 20 1 0 0 0 0
14 21 1 1 0 0 0
15 22 1 6 0 0 0
19 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
S SKP 5
ID LBF20407LX01
FORMULA C20H32O5
EXACTMASS 352.224974134
AVERAGEMASS 352.46508
SMILES C(CCC(C=CC=CC=CC=CC(O)C(O)CCCC(O)=O)O)CC
M END
